Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9526464 | 0.83 | CYP2A6 (0.53) | CYP2A6MCL1ERN1POLBPTPN1 | |
| SCHEMBL9778988 | 0.83 | CYP2A6 (0.53) | CYP2A6SLC2A1MCL1ERN1POLB | |
| SCHEMBL10348693 | 0.76 | POLB (0.49) | CYP2A6MCL1ERN1POLBPTPN1 | |
| SCHEMBL18740350 | 0.72 | HSD17B10 (0.44) | CYP2A6SLC2A1POLBMEN1KMT2A | |
| SCHEMBL29153279 | 0.71 | HPRT1 (0.52) | CYP2A6SLC2A1MEN1KMT2ALMNA | |
| SCHEMBL9537870 | 0.71 | CYP2A6 (0.46) | CYP2A6MCL1ERN1POLBPTPN1 | |
| SCHEMBL2261401 | 0.69 | CYP2A6 (1.00) | CYP2A6ERN1MEN1KMT2ALMNA | |
| SCHEMBL21824180 | 0.69 | HSD17B10 (0.43) | CYP2A6SLC2A1THRBTDP1ERBB2 | |
| SCHEMBL9527033 | 0.68 | CYP2A6 (0.47) | CYP2A6MCL1ERN1MEN1KMT2A | |
| SCHEMBL419485 | 0.68 | ERN1 (0.51) | CYP2A6MCL1ERN1POLBPTPN1 |
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 |