Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8601328 | 0.89 | ERN1 (0.49) | CYP2A6ERN1NPSR1MAPTCYP1A2 | |
| SCHEMBL342278 | 0.84 | ERN1 (0.57) | CYP2A6ERN1MAPTCYP1A2CYP2C9 | |
| SCHEMBL29388184 | 0.84 | ERN1 (0.57) | CYP2A6ERN1MAPTCYP1A2CYP2C9 | |
| SCHEMBL10997990 | 0.81 | SLC2A1 (0.46) | CYP2A6ERN1NPSR1MAPTAHR | |
| SCHEMBL4893713 | 0.81 | ERN1 (0.50) | CYP2A6ERN1NPSR1MAPTCYP1A2 | |
| SCHEMBL28218594 | 0.80 | KIF11 (0.47) | CYP2A6ERN1MAPTCYP1A2CYP2C9 | |
| SCHEMBL19960406 | 0.80 | ERN1 (0.44) | CYP2A6ERN1NPSR1MAPTCYP1A2 | |
| Hydrochloric Acid SCHEMBL11307480 | 0.79 | SLC2A1 (0.49) | CYP2A6ERN1NPSR1MAPTAHR | |
| SCHEMBL19960388 | 0.79 | MEN1 (0.39) | CYP2A6ERN1MAPTCYP1A2TDP1 | |
| Methyl Alcohol SCHEMBL27670101 | 0.79 | ERN1 (0.57) | CYP2A6ERN1NPSR1MAPTCYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4803226-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4803221-A | Anthracene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4719047-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719049-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| EP-0125702-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-08-12 | — | — | EP | disclosed |
| EP-0125702-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |