Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7914321 | 0.84 | CA1 (0.38) | EPHX2CHRNB2CHRNA4HTR2CALDH1A1 | |
| SCHEMBL15919017 | 0.81 | EPHX2 (0.35) | EPHX2CHRNB2CHRNA4HTR2CACHE | |
| SCHEMBL20487608 | 0.78 | CA12 (0.35) | CHRNB2CHRNA4HTR2CALDH1A1CA1 | |
| SCHEMBL13453317 | 0.72 | ALDH1A1 (0.50) | HTR2CALDH1A1MAPTNOS3NOS1 | |
| SCHEMBL12156616 | 0.72 | ALDH1A1 (0.50) | HTR2CALDH1A1MAPTNOS3NOS1 | |
| SCHEMBL18533297 | 0.71 | ALDH1A1 (0.45) | ALDH1A1NPSR1SMN1; SMN2MAPTCYP2A6 | |
| SCHEMBL12240332 | 0.71 | KDM4E (0.55) | EPHX2ACHEKDM4ELMNAHTT | |
| SCHEMBL15919021 | 0.69 | ACHE (0.36) | CHRNB2CHRNA4HTR2CACHECA1 | |
| SCHEMBL7926255 | 0.69 | CHRNA7 (0.34) | ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL12253322 | 0.68 | NOS3 (0.34) | EPHX2CHRNB2CHRNA4HTR2CALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014169817-A1 | PHENYLALANINE COMPOUND HAVING NITROGEN HETEROCYCLIC LINK, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | 中国科学院上海药物研究所 (CN) | 2014-10-23 | — | — | WO | disclosed |
| EP-2626354-A1 | Viral polymerase inhibitors | Boehringer Ingelheim International GmbH (DE) | 2013-08-14 | — | — | EP | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-20120065162-A1 | N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-15 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| EP-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | WO | 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 (2 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-20120010247-A1 | BICYCLIC COMPOUND | ACACA, CPT1B, ACACB | EPHX2 2938/4885CHRNB2 4215/4885CHRNA4 3936/4885 |
| US-20120065162-A1 | N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | SLC6A2, TPH1, SLC6A3 | EPHX2 3742/4885CHRNB2 180/4885CHRNA4 145/4885 |
“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.