Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 5/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.37 |
| ▸ | GSR | P00390 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11093585 | 1.00 | CHRM2 (0.42) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL9325366 | 0.84 | CHRM2 (0.47) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL9325357 | 0.84 | CHRM2 (0.47) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL789422 | 0.84 | CHRM2 (0.47) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL7387097 | 0.80 | CHRM2 (0.46) | CHRM2CHRM1CHRM4CHRM3MEN1 | |
| SCHEMBL5084642 | 0.80 | CHRM2 (0.44) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL14130633 | 0.80 | CHRM2 (0.44) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL2292809 | 0.79 | GSR (0.50) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL2293222 | 0.79 | GSR (0.50) | CHRM2CHRM1CHRM4CHRM3CYP2D6 | |
| SCHEMBL2293227 | 0.79 | GSR (0.50) | CHRM2CHRM1CHRM4CHRM3CYP2D6 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |
| US-4829090-A | SECONDARY AMINES, ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-09 | — | — | US | disclosed |
| US-4820873-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-04-11 | — | — | US | disclosed |
| US-4810727-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4808625-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4808632-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4803222-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 |
| EP-0125701-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-08-03 | — | — | EP | disclosed |
| US-4720587-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-01-19 | — | — | US | disclosed |
| US-4719048-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719046-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719236-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719049-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719055-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| EP-0125701-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |