Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | STAT6 | P42226 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16000094 | 0.91 | ALDH1A1 (0.49) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL20039016 | 0.84 | CYP1A2 (0.41) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL19275563 | 0.84 | ALDH1A1 (0.41) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL13434059 | 0.82 | TSHR (0.54) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL112007 | 0.79 | CYP3A4 (0.43) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL3292596 | 0.79 | SLC6A3 (0.43) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL18603170 | 0.79 | ALDH1A1 (0.37) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL27536605 | 0.76 | CYP1A2 (0.64) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL7785613 | 0.76 | TSHR (0.44) | KDM4ECYP3A4SLC6A3TSHRLMNA | |
| SCHEMBL6642094 | 0.76 | GAA (0.47) | KDM4ECYP3A4SLC6A3TSHRLMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3412663-B1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2022-09-07 | — | — | EP | disclosed |
| WO-2020243224-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE | SHIONOGI & CO., LTD. (JP) | 2020-12-03 | — | — | WO | disclosed |
| US-10781210-B2 | Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2020-09-22 | — | — | US | disclosed |
| US-20200087302-A1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2020-03-19 | — | — | US | disclosed |
| EP-2952503-B1 | CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2019-10-23 | — | — | EP | disclosed |
| US-20180201607-A1 | HETEROCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-07-19 | — | — | US | disclosed |
| US-20180186814-A1 | TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL | SHIONOGI & CO., LTD. (JP) | 2018-07-05 | — | — | US | disclosed |
| US-20180186814-A1 | TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL | SHIONOGI & CO., LTD. (JP) | 2018-07-05 | — | — | US | disclosed |
| US-20180162876-A1 | NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-06-14 | — | — | US | disclosed |
| US-9988373-B2 | Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2018-06-05 | — | — | US | disclosed |
| US-9499533-B2 | Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity | SHIONOGI & CO., LTD. (JP) | 2016-11-22 | — | — | US | disclosed |
| US-20160318916-A1 | NITROGEN-CONTAINING SIX-MEMBERED CYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2016-11-03 | — | — | US | disclosed |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2016-09-08 | — | — | US | disclosed |
| US-20150361093-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2015-12-17 | — | — | US | disclosed |
| US-9199959-B2 | HIV replication inhibitor | SHIONOGI & CO., LTD. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-20150266865-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-09-24 | — | — | US | disclosed |
| US-20150246938-A1 | NOVEL OLEFIN DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2015-09-03 | — | — | US | disclosed |
| US-20150038483-A1 | AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-02-05 | — | — | US | disclosed |
| US-20140275074-A1 | HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-09-18 | — | — | US | disclosed |
| US-20140249306-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2014-09-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140275074-A1 | HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | PTGDR, PTGDR2, PTGER4 | KDM4E 1929/4885CYP3A4 280/4885SLC6A3 1603/4885 |
| US-20150361093-A1 | HIV REPLICATION INHIBITOR | RTF2, REV1, PCNA | KDM4E 546/4885CYP3A4 832/4885SLC6A3 3389/4885 |
| US-20160318916-A1 | NITROGEN-CONTAINING SIX-MEMBERED CYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NGLY1, C1R | KDM4E 3286/4885CYP3A4 224/4885SLC6A3 960/4885 |
| US-20180201607-A1 | HETEROCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | NTRK2, NR5A2, NTRK1 | KDM4E 1134/4885CYP3A4 3284/4885SLC6A3 300/4885 |
| US-20180162876-A1 | NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY | NR4A3, CCR3, NCOA3 | KDM4E 1622/4885CYP3A4 630/4885SLC6A3 400/4885 |
| US-20150246938-A1 | NOVEL OLEFIN DERIVATIVE | ACSS2, ACACB, ACAT2 | KDM4E 2675/4885CYP3A4 589/4885SLC6A3 3473/4885 |
| US-20200087302-A1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | NTRK2, NTRK3, NTRK1 | KDM4E 1263/4885CYP3A4 501/4885SLC6A3 180/4885 |
| US-20180186814-A1 | TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL | SULT1E1, ABCC5, ABCC4 | KDM4E 393/4885CYP3A4 82/4885SLC6A3 201/4885 |
| US-10781210-B2 | Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity | NTRK2, NTRK3, NTRK1 | KDM4E 1185/4885CYP3A4 442/4885SLC6A3 177/4885 |
| US-20140249306-A1 | HIV REPLICATION INHIBITOR | SSU72, RTF2, ZC3HAV1 | KDM4E 1187/4885CYP3A4 899/4885SLC6A3 4569/4885 |
| US-20150266865-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, APP, BACE2 | KDM4E 2942/4885CYP3A4 1803/4885SLC6A3 474/4885 |
| US-20150038483-A1 | AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY | TRPV4, TRPC4, TRPV2 | KDM4E 891/4885CYP3A4 414/4885SLC6A3 495/4885 |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | ACSS2, ACACB, ADCY2 | KDM4E 2315/4885CYP3A4 548/4885SLC6A3 3374/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.