Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9526357 | 0.91 | CYP2A6 (0.56) | CYP2A6HPRT1ERN1CYP1A2CYP2C9 | |
| SCHEMBL9529596 | 0.76 | CYP2A6 (0.59) | CYP2A6HPRT1ERN1CYP1A2CYP2C9 | |
| SCHEMBL29847503 | 0.76 | CYP2A6 (0.59) | CYP2A6HPRT1ERN1CYP1A2CYP2C9 | |
| SCHEMBL21789326 | 0.73 | HPRT1 (0.70) | CYP2A6HPRT1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13561942 | 0.71 | ALDH1A1 (0.37) | CYP2A6HPRT1CYP1A2ALDH1A1HSD17B10 | |
| Chrysene SCHEMBL18627967 | 0.71 | HPRT1 (0.93) | CYP2A6HPRT1CYP1A2CYP2C9CYP2C19 | |
| Chrysene SCHEMBL1460501 | 0.71 | HPRT1 (0.93) | CYP2A6HPRT1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3610464 | 0.70 | CYP2A6 (0.52) | CYP2A6CYP1A2ALDH1A1TDP1 | |
| SCHEMBL13195264 | 0.70 | CYP2A6 (0.52) | CYP2A6CYP1A2ALDH1A1TSHRMAPT | |
| SCHEMBL1849150 | 0.70 | CYP2A6 (0.52) | CYP2A6ALDH1A1 |
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 |