Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9526065 | 0.78 | CYP2A6 (0.48) | CYP2A6GPR3MAOAMAOBMCL1 | |
| SCHEMBL31672181 | 0.78 | CYP2A6 (0.48) | CYP2A6GPR3MAOAMAOBMCL1 | |
| SCHEMBL11992362 | 0.76 | ALDH1A1 (0.53) | CYP2A6GPR3MAOAMAOBMCL1 | |
| SCHEMBL9540651 | 0.75 | CYP2A6 (0.46) | CYP2A6GPR3MCL1ALDH1A1MAPT | |
| SCHEMBL17368264 | 0.73 | GPR3 (0.52) | GPR3MAOAMAOBMCL1ALDH1A1 | |
| SCHEMBL16989804 | 0.73 | MAPT (0.47) | GPR3MAOAMAOBALDH1A1MAPT | |
| SCHEMBL16985163 | 0.72 | GPR3 (0.62) | CYP2A6GPR3MAOAMAOBMCL1 | |
| SCHEMBL22650683 | 0.72 | GPR3 (0.50) | CYP2A6GPR3MAOAMAOBMCL1 | |
| SCHEMBL22601370 | 0.72 | GPR3 (0.50) | GPR3MAOAMAOBMCL1ALDH1A1 | |
| SCHEMBL16231227 | 0.72 | GPR3 (0.50) | GPR3MAOAMAOBMCL1ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182608-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-03-03 | — | — | EP | disclosed |
| 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 |