Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10348681 | 0.81 | ERN1 (0.42) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL3694889 | 0.81 | ALDH1A1 (0.47) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL3697087 | 0.79 | ALDH1A1 (0.45) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL3777795 | 0.79 | ALDH1A1 (0.45) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL1246034 | 0.78 | ERN1 (0.60) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL3707056 | 0.77 | HPRT1 (0.52) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL3767140 | 0.77 | HPRT1 (0.52) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL10488197 | 0.76 | MEN1 (0.41) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL10348702 | 0.76 | ERN1 (0.55) | CYP2A6ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL27289193 | 0.75 | ERN1 (0.52) | CYP2A6ALDH1A1MEN1KMT2ATDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4803226-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4803221-A | Anthracene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4719047-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | 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 |