Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4818156 | 0.89 | CES1 (0.56) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL28852865 | 0.85 | ALDH1A1 (0.52) | TSHRSRD5A2L3MBTL1HPGDCYP2A6 | |
| SCHEMBL568779 | 0.83 | TSHR (0.71) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL31430380 | 0.83 | TSHR (0.71) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL31135519 | 0.81 | TSHR (0.67) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL30731351 | 0.81 | TSHR (0.67) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL31621255 | 0.81 | TSHR (0.67) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL30668198 | 0.81 | TSHR (0.67) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL30436120 | 0.81 | TSHR (0.67) | TSHRSRD5A1SRD5A2L3MBTL1HPGD | |
| SCHEMBL29593589 | 0.81 | TSHR (0.67) | TSHRSRD5A1SRD5A2L3MBTL1HPGD |
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-0182609-B1 | POLYCYCLIC BIOCIDAL COMPOUNDS, THEIR SYNTHESIS, FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-05-09 | — | — | EP | disclosed |
| US-4882358-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-11-21 | — | — | US | disclosed |
| US-4827034-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-02 | — | — | US | disclosed |
| US-4818443-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-04-04 | — | — | US | disclosed |
| US-4814502-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-21 | — | — | US | disclosed |
| US-4810823-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4808753-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4791233-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791231-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791232-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0182609-A2 | Polycyclic biocidal compounds, their synthesis, formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-05-28 | — | — | EP | disclosed |