Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL787917 | 0.81 | MAOA (0.44) | AHRMAOAPTPN1MAOBALOX5 | |
| SCHEMBL24807653 | 0.78 | AHR (0.42) | AHRMAOAPTPN1MAOBKDM4E | |
| SCHEMBL9536657 | 0.76 | MAOA (0.45) | AHRMAOAPTPN1MAOBKDM4E | |
| SCHEMBL19774245 | 0.76 | KDM4E (0.45) | AHRMAOAPTPN1MAOBALOX5 | |
| SCHEMBL8536418 | 0.76 | ESR2 (0.41) | MAOAPTPN1MAOBKDM4ETHRB | |
| SCHEMBL19398804 | 0.76 | ALOX5 (0.53) | MAOAPTPN1MAOBALOX5KDM4E | |
| SCHEMBL13564032 | 0.76 | AHR (0.52) | AHRDYRK1AMAOAALOX5KDM4E | |
| SCHEMBL14295772 | 0.76 | AHR (0.50) | AHRDYRK1AMAOAALOX5KDM4E | |
| SCHEMBL1395382 | 0.74 | NQO1 (0.58) | MAOAPTPN1MAOBKDM4ETHRB | |
| SCHEMBL24274999 | 0.74 | AHR (0.49) | AHRPTPN1ALOX5 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4952597-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-08-28 | — | — | US | disclosed |
| US-4918101-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |
| US-4873258-A | Benzo[c] carbazole propanediol containing anti tumor compositions and use | BURROUGHS WELLCOME CO. (US) | 1989-10-10 | — | — | US | disclosed |
| US-4855453-A | Tetracyclic thiophene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-08-08 | — | — | US | disclosed |
| US-4797495-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-01-10 | — | — | US | disclosed |
| EP-0182608-A2 | Polycyclic compounds, their preparation and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-05-28 | — | — | EP | disclosed |