Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | GPR183 | P32249 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896301 | 0.95 | MAP4K4 (0.51) | HRH3CYP2C19CYP2D6CYP2C9ALOX15 | |
| SCHEMBL18626533 | 0.88 | MAP4K4 (0.50) | CYP2C19CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL19008145 | 0.88 | MAP4K4 (0.52) | CYP2C19CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL24362669 | 0.83 | USP2 (0.62) | HRH3CYP2C19CYP2D6CYP2C9TSHR | |
| SCHEMBL17896797 | 0.82 | HRH3 (0.55) | HRH3CYP2C19CYP2D6CYP2C9ALOX15 | |
| SCHEMBL18626504 | 0.81 | LMNA (0.46) | CYP2C19CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL19008143 | 0.81 | ALDH1A1 (0.49) | CYP2C19CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL20252451 | 0.80 | HRH3 (0.56) | HRH3CYP2C19CYP2D6CYP2C9ALOX15 | |
| SCHEMBL22430867 | 0.79 | ALDH1A1 (0.74) | HRH3CYP2D6ALOX15TSHRALDH1A1 | |
| SCHEMBL17896320 | 0.78 | USP2 (0.53) | HRH3CYP2C19CYP2D6CYP2C9ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-9592235-B2 | Aminoquinazoline and pyridopyrimidine derivatives | GENENTECH, INC. (US) | 2017-03-14 | — | — | US | disclosed |