Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 4/20 | 1.00 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.85 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1272548 | 1.00 | HRH1 (1.00) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| SCHEMBL3531226 | 1.00 | HRH1 (1.00) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| SCHEMBL4962152 | 1.00 | HRH1 (1.00) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| SCHEMBL2673539 | 0.98 | HRH1 (0.96) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28646442 | 0.96 | HRH1 (0.93) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| SCHEMBL1188053 | 0.92 | CYP2A6 (1.00) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| SCHEMBL30393717 | 0.92 | CYP2A6 (1.00) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL6286905 | 0.90 | CYP2A6 (0.96) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL10678754 | 0.90 | CYP2A6 (0.96) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL30682561 | 0.90 | CYP2A6 (0.96) | HRH1CYP2A6CHRNA7TDP1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118255685-A | Tricyclic compound, pharmaceutical composition and application thereof | 珂阑(上海)医药科技有限公司 | 2024-06-28 | — | — | CN | disclosed |
| EP-0094080-A2 | Pyrido(2,1-b)quinazoline derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-11-16 | — | — | EP | disclosed |