Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
| ▸ | GABRE | P78334 | 1/20 | 0.30 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.30 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.30 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.30 |
| ▸ | GABRQ | Q9UN88 | 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 | |
|---|---|---|---|---|
| SCHEMBL28296127 | 0.83 | NPSR1 (0.34) | ALDH1A1LMNA | |
| SCHEMBL10815505 | 0.75 | CA12 (0.35) | ALDH1A1LMNAGABRPGABRDGABRA1 | |
| SCHEMBL25195357 | 0.71 | CA12 (0.34) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL28333141 | 0.71 | ALDH1A1 (0.31) | ALDH1A1LMNA | |
| SCHEMBL2343974 | 0.70 | CYP2C9 (0.34) | ALDH1A1LMNAGABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL27029865 | 0.70 | CA12 (0.33) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL28097178 | 0.67 | GABRA1 (0.33) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL4334916 | 0.65 | CA12 (0.32) | ALDH1A1LMNAGABRPGABRDGABRA1 | |
| SCHEMBL22747796 | 0.65 | SLC22A6 (0.30) | — | |
| SCHEMBL29705092 | 0.63 | TP53 (0.36) | ALDH1A1LMNAGABRPGABRDGABRA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061944-A | Pyridines and pyrimidines and use thereof | 普渡制药公司 | 2016-10-26 | — | — | CN | claimed |
| CN-117412959-A | Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof | 爱彼特生物制药公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-106061944-A | Pyridines and pyrimidines and use thereof | 普渡制药公司 | 2016-10-26 | — | — | CN | disclosed |
| EP-2788086-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | Boehringer Ingelheim International GmbH (DE) | 2014-10-15 | — | — | EP | disclosed |
| WO-2013083591-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |
| EP-2131656-A2 | PHTHALAZINE DERIVATIVES | Forest Laboratories Holdings Limited (BM) | 2009-12-16 | — | — | EP | disclosed |
| WO-2009145357-A1 | IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |
| WO-2008061108-A2 | PHTHALAZINE DERIVATIVES | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2008-05-22 | — | — | WO | disclosed |
| EP-1781661-A2 | VASOPRESSIN V1A ANTAGONISTS | Ferring B.V. (NL) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006021213-A2 | VASOPRESSIN V1A ANTAGONISTS | FERRING B.V. (NL) | 2006-03-02 | — | — | WO | disclosed |