Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.56 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL9536471 | 0.91 | CYP2A6 (0.51) | CYP2A6ERN1RAB9AMAPTNPC1 | |
| SCHEMBL9529596 | 0.76 | CYP2A6 (0.59) | CYP2A6ERN1KDM4ECYP1B1ALDH1A1 | |
| SCHEMBL29847503 | 0.76 | CYP2A6 (0.59) | CYP2A6ERN1KDM4ECYP1B1ALDH1A1 | |
| SCHEMBL30581207 | 0.74 | CYP2A6 (0.52) | CYP2A6ALDH1A1 | |
| SCHEMBL13195264 | 0.74 | CYP2A6 (0.52) | CYP2A6MAPTKDM4ENPSR1ALDH1A1 | |
| SCHEMBL12095234 | 0.74 | CYP2A6 (0.52) | CYP2A6ERN1CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL3610464 | 0.74 | CYP2A6 (0.52) | CYP2A6ALDH1A1TDP1CYP1A2 | |
| SCHEMBL1849150 | 0.74 | CYP2A6 (0.52) | CYP2A6ALDH1A1 | |
| SCHEMBL29196077 | 0.74 | CA2 (0.53) | CYP2A6ERN1MAPTKDM4EALDH1A1 | |
| SCHEMBL29629031 | 0.72 | CYP2A6 (1.00) | CYP2A6ERN1 |
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 10 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-4965285-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-10-23 | — | — | 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 |
| US-4171366-A | 1-Naphthothienylalkyl-1H-imidazoles | CIBA-GEIGY CORPORATION (US) | 1979-10-16 | — | — | US | disclosed |