Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 11/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL8633795 | 0.87 | ATM (0.36) | — | |
| SCHEMBL8634537 | 0.76 | TACR1 (0.38) | TACR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8630922 | 0.73 | IDO1 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8636206 | 0.68 | TACR1 (0.37) | TACR1 | |
| SCHEMBL8990258 | 0.65 | — | — | |
| SCHEMBL8634850 | 0.64 | — | — | |
| SCHEMBL30810364 | 0.63 | IDO1 (0.66) | TACR1IDO1 | |
| SCHEMBL14287583 | 0.63 | TACR1 (0.53) | TACR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8634113 | 0.63 | IDO1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14287580 | 0.63 | TACR1 (0.53) | TACR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-5712281-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1998-01-27 | — | — | US | disclosed |