Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10992785 | 0.83 | KIF11 (0.47) | CYP1A2CYP2A6KIF11L3MBTL1GAA | |
| Alcohol SCHEMBL28156266 | 0.81 | ERN1 (0.52) | CYP1A2L3MBTL1GAATDP1NR1I2 | |
| SCHEMBL342278 | 0.80 | ERN1 (0.57) | CYP1A2CYP2A6L3MBTL1GAATDP1 | |
| SCHEMBL29388184 | 0.80 | ERN1 (0.57) | CYP1A2CYP2A6L3MBTL1GAATDP1 | |
| Methyl Alcohol SCHEMBL27670101 | 0.79 | ERN1 (0.57) | CYP1A2CYP2A6L3MBTL1GAATDP1 | |
| SCHEMBL5746279 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2A6KIF11L3MBTL1GAA | |
| SCHEMBL29946615 | 0.77 | ERN1 (0.62) | ERN1 | |
| SCHEMBL22750630 | 0.77 | ERN1 (0.62) | ERN1 | |
| SCHEMBL598696 | 0.77 | CYP1A2 (0.69) | CYP1A2CYP2A6KIF11GAATDP1 | |
| SCHEMBL4893713 | 0.77 | ERN1 (0.50) | CYP1A2CYP2A6L3MBTL1GAATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4803221-A | Anthracene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | 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 |