Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | BCR | P11274 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
| ▸ | GRM1 | Q13255 | 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 | |
|---|---|---|---|---|
| SCHEMBL27516993 | 1.00 | TRPV1 (0.33) | TRPV1GRM5CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL27637673 | 0.84 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2C19USP2MAPK14 | |
| SCHEMBL27337618 | 0.76 | LTA4H (0.45) | CYP1A2CYP2C19KMT2AGRM1 | |
| SCHEMBL27523731 | 0.76 | LTA4H (0.45) | CYP1A2CYP2C19KMT2AGRM1 | |
| SCHEMBL5261066 | 0.70 | CYP1A2 (0.38) | TRPV1GRM5CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5261054 | 0.70 | CYP1A2 (0.38) | TRPV1GRM5CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL22594425 | 0.70 | LTA4H (0.49) | TRPV1GRM5ABL1BCRKMT2A | |
| SCHEMBL27555390 | 0.69 | BCL2L1 (0.37) | CYP1A2CYP2C19KMT2AGRM1 | |
| SCHEMBL5788690 | 0.66 | LTA4H (0.49) | CYP1A2CYP2C19USP2KMT2AMEN1 | |
| SCHEMBL27608096 | 0.66 | NAPRT (0.42) | USP2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1342157-A | Substituted pyrazoles ASP38 kinase inhibitors | SEARLE & CO (US) | 2002-03-27 | — | — | CN | disclosed |