Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3641415 | 0.85 | PARP1 (0.56) | ALDH1A1HPGDPARP1GAATP53 | |
| SCHEMBL5671330 | 0.84 | PARP1 (0.54) | ALDH1A1HPGDPARP1GAATP53 | |
| SCHEMBL4821188 | 0.84 | PARP1 (0.58) | L3MBTL1ALDH1A1HPGDPARP1GAA | |
| SCHEMBL7471863 | 0.82 | L3MBTL1 (0.59) | L3MBTL1ALDH1A1HPGDPARP1GAA | |
| SCHEMBL9155928 | 0.81 | PARP1 (0.51) | ALDH1A1HPGDPARP1GAATP53 | |
| SCHEMBL5670690 | 0.81 | PARP1 (0.55) | ALDH1A1HPGDPARP1GAATP53 | |
| SCHEMBL5671346 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDPARP1GAATP53 | |
| SCHEMBL22186873 | 0.81 | PARP1 (0.51) | ALDH1A1HPGDPARP1GAATP53 | |
| SCHEMBL5672408 | 0.81 | ALDH1A1 (0.40) | L3MBTL1ALDH1A1HPGDPARP1GAA | |
| SCHEMBL5671433 | 0.80 | BRD4 (0.55) | ALDH1A1HPGDPARP1GAATP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |
| EP-0980362-B1 | SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS | SCHERING AG (DE) | 2006-08-16 | — | — | EP | disclosed |
| EP-0869949-B1 | BENZOXAZINE ANTIMICROBIAL AGENTS | ORTHO MCNEIL PHARM INC (US) | 2002-12-18 | — | — | EP | disclosed |
| US-6191127-B1 | ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-02-20 | — | — | US | disclosed |
| EP-0980362-A1 | SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-02-23 | — | — | EP | disclosed |
| US-5854242-A | Benzoxazine antimicrobial agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-12-29 | — | — | US | disclosed |
| WO-1998050372-A1 | SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-11-12 | — | — | WO | disclosed |
| EP-0869949-A1 | BENZOXAZINE ANTIMICROBIAL AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-10-14 | — | — | EP | disclosed |
| US-5696117-A | BACTERICIDE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-12-09 | — | — | US | disclosed |
| WO-1997017333-A1 | BENZOXAZINE ANTIMICROBIAL AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-05-15 | — | — | WO | disclosed |