Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | CCR3 | P51677 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.32 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6095621 | 0.91 | TACR1 (0.39) | HRH3CYP3A4 | |
| SCHEMBL6093227 | 0.87 | TACR1 (0.40) | HRH3ROCK2CYP3A4 | |
| SCHEMBL6093917 | 0.87 | TACR1 (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6095231 | 0.84 | ADRB2 (0.42) | HRH3ROCK2 | |
| SCHEMBL6093950 | 0.82 | CHRM4 (0.38) | HRH3 | |
| SCHEMBL6093026 | 0.82 | TACR1 (0.41) | ROCK2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6095228 | 0.81 | TACR1 (0.41) | HRH3 | |
| SCHEMBL6094847 | 0.81 | TACR1 (0.36) | CYP3A4CYP2D6 | |
| SCHEMBL6095509 | 0.81 | TACR1 (0.41) | CYP3A4 | |
| SCHEMBL6093672 | 0.81 | TACR1 (0.40) | HRH3ROCK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1457493-A1 | FUSED BICYCLIC PYRIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Kyorin Pharmaceutical Co., Ltd. (JP) | 2004-09-15 | — | — | EP | disclosed |