Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.43 |
| ▸ | RELA | Q04206 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13859011 | 1.00 | ALDH1A1 (0.46) | ALDH1A1LMNACYP1A2CYP3A4PKM | |
| SCHEMBL22056621 | 0.81 | ALDH1A1 (0.47) | ALDH1A1LMNACYP1A2CYP3A4PKM | |
| SCHEMBL2442756 | 0.77 | ALDH1A1 (0.52) | ALDH1A1LMNACYP1A2CYP3A4PKM | |
| SCHEMBL2442757 | 0.77 | ALDH1A1 (0.52) | ALDH1A1LMNACYP1A2CYP3A4PKM | |
| SCHEMBL24461545 | 0.74 | ALDH1A1 (0.40) | ALDH1A1LMNACYP1A2CYP3A4PKM | |
| SCHEMBL27503360 | 0.74 | ALDH1A1 (0.40) | ALDH1A1LMNACYP1A2CYP3A4PKM | |
| SCHEMBL116316 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MAPTHSD17B10NPSR1 | |
| SCHEMBL2840178 | 0.72 | ALDH1A1 (0.37) | ALDH1A1MAPTMAOBNPSR1 | |
| SCHEMBL29436325 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MAPTHSD17B10NPSR1 | |
| SCHEMBL16871012 | 0.70 | ALDH1A1 (0.34) | ALDH1A1MAOBNPSR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2709609-B1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO (JP) | 2017-10-04 | — | — | EP | disclosed |
| EP-2709609-B1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO (JP) | 2017-10-04 | — | — | EP | disclosed |
| US-9156830-B2 | Heterocyclic compounds | SHIONOGI & CO., LTD. (JP) | 2015-10-13 | — | — | US | disclosed |
| US-9156830-B2 | Heterocyclic compounds | SHIONOGI & CO., LTD. (JP) | 2015-10-13 | — | — | US | disclosed |
| US-9156830-B2 | Heterocyclic compounds | SHIONOGI & CO., LTD. (JP) | 2015-10-13 | — | — | US | disclosed |
| US-20140249159-A1 | HETEROCYCLIC COMPOUNDS | PURDUE PHARMA L.P. | 2014-09-04 | — | — | US | disclosed |
| US-20140249159-A1 | HETEROCYCLIC COMPOUNDS | PURDUE PHARMA L.P. | 2014-09-04 | — | — | US | disclosed |
| US-20140249159-A1 | HETEROCYCLIC COMPOUNDS | PURDUE PHARMA L.P. | 2014-09-04 | — | — | US | disclosed |
| EP-2709609-A1 | HETEROCYCLIC COMPOUNDS | Shionogi & Co., Ltd. (JP) | 2014-03-26 | — | — | EP | disclosed |
| WO-2012158844-A1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO., LTD. (JP) | 2012-11-22 | — | — | WO | disclosed |
| WO-2012158844-A1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO., LTD. (JP) | 2012-11-22 | — | — | 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 (1 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-20140249159-A1 | HETEROCYCLIC COMPOUNDS | HRH2, UGT1A3, UGT1A1 | ALDH1A1 165/4885LMNA 3159/4885CYP1A2 43/4885 |
“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.