Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 11/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.45 |
| ▸ | HRH2 | P25021 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3529110 | 0.98 | HRH1 (0.60) | HRH1CYP2A6MAOAHRH3HRH4 | |
| SCHEMBL10423050 | 0.93 | CYP2A6 (0.57) | HRH1CYP2A6MAOAHRH3HRH4 | |
| Hydrochloric Acid SCHEMBL18985043 | 0.91 | CYP2A6 (0.55) | HRH1CYP2A6MAOAHRH3HRH4 | |
| SCHEMBL8817088 | 0.82 | — | — | |
| SCHEMBL28266356 | 0.78 | CHRNB2 (0.38) | HRH1CYP2A6CHRNA7 | |
| SCHEMBL10768464 | 0.76 | TDP1 (0.35) | HRH1CYP2A6 | |
| SCHEMBL4177303 | 0.76 | TDP1 (0.59) | — | |
| SCHEMBL10350035 | 0.76 | CA2 (0.38) | HRH1 | |
| SCHEMBL13662376 | 0.76 | ATM (0.35) | CYP2A6HRH3HRH4CHRNA7 | |
| SCHEMBL15545209 | 0.74 | TDP1 (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081131-A | Omega-((hetero)alkyl)benz(cd)-indol-2-amines | AMERICAN CYANAMID COMPANY (US) | 1992-01-14 | — | — | US | disclosed |
| EP-0094080-B1 | PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-09-09 | — | — | EP | disclosed |
| EP-0230035-A2 | Omega-[(hetero)alkyl]benz[cd]indol-2-amines | AMERICAN CYANAMID COMPANY (US) | 1987-07-29 | — | — | EP | disclosed |
| US-4551460-A | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1985-11-05 | — | — | US | disclosed |
| EP-0094080-A2 | Pyrido(2,1-b)quinazoline derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-11-16 | — | — | EP | disclosed |