Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL5410476 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL6403439 | 0.80 | ACHE (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL6399343 | 0.77 | SIGMAR1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL171303 | 0.76 | CYP1A2 (0.81) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL6399821 | 0.76 | CYP1A2 (0.81) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL9030685 | 0.73 | ACHE (0.69) | CYP1A2CYP3A4CYP2D6ACHESIGMAR1 | |
| SCHEMBL17285907 | 0.70 | SIGMAR1 (0.74) | ACHESIGMAR1HRH3 | |
| SCHEMBL3958257 | 0.69 | HRH3 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL9031040 | 0.69 | ACHE (0.67) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL6399275 | 0.68 | GRIN2B (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189756-B2 | Pyrrolidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-03-13 | — | — | US | disclosed |
| US-6790860-B2 | USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION | HOFFMANN-LA ROCHE INC. | 2004-09-14 | — | — | US | disclosed |