Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | ERN1 | O75460 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9779150 | 0.84 | CYP2A6 (0.42) | CYP2A6ERN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL342278 | 0.79 | ERN1 (0.57) | CYP2A6ERN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL29388184 | 0.79 | ERN1 (0.57) | CYP2A6ERN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL9529453 | 0.76 | TUBB4A (0.45) | CYP2A6ERN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL9526464 | 0.74 | CYP2A6 (0.53) | CYP2A6ERN1MAOAMAOBKMT2A | |
| Methyl Alcohol SCHEMBL27670101 | 0.74 | ERN1 (0.57) | CYP2A6ERN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL10348702 | 0.73 | ERN1 (0.55) | CYP2A6ERN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL5691810 | 0.73 | PTPN22 (0.41) | CYP2A6CYP1A2CYP2C19CYP2D6ALOX5 | |
| SCHEMBL4893713 | 0.72 | ERN1 (0.50) | CYP2A6ERN1MAPTCYP1A2CYP2C19 | |
| SCHEMBL9538077 | 0.71 | CYP2A6 (0.47) | CYP2A6ERN1MAPTCYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0183439-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-02-03 | — | — | EP | disclosed |
| US-5075455-A | Microbiocides, antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-12-24 | — | — | US | disclosed |
| US-5049581-A | Dibenzofurans having anti-tumor activity | BURROUGHS WELLCOME CO. (US) | 1991-09-17 | — | — | US | disclosed |
| US-5017600-A | Antitumor | BURROUGHS WELLCOME CO. (US) | 1991-05-21 | — | — | US | disclosed |
| US-5008286-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-04-16 | — | — | US | disclosed |
| US-4970227-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1990-11-13 | — | — | US | disclosed |
| US-4866070-A | ANTITUMOR AGENT | BURROUGHS WELLCOME CO. (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0183439-A2 | Polycyclic compounds, their preparation and use and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-06-04 | — | — | EP | disclosed |