Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | CTSG | P08311 | 2/20 | 0.32 |
| ▸ | CMA1 | P23946 | 2/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540187 | 0.85 | PARP1 (0.35) | CTSLCTSKCYP3A4MAPK1CSNK1E | |
| SCHEMBL9538885 | 0.78 | GABRA1 (0.40) | CYP3A4 | |
| SCHEMBL9540034 | 0.78 | CYP3A4 (0.36) | CTSLCTSSCTSKCYP3A4MAPK1 | |
| SCHEMBL9539180 | 0.64 | MMP8 (0.44) | CTSLCTSSCTSKCYP3A4OPRK1 | |
| SCHEMBL4899214 | 0.64 | CTSS (0.63) | CTSLCTSSCTSKCYP3A4TACR1 | |
| SCHEMBL4900597 | 0.64 | CTSS (0.63) | CTSLCTSSCTSKCYP3A4TACR1 | |
| SCHEMBL6855159 | 0.64 | CTSS (0.63) | CTSLCTSSCTSKCYP3A4TACR1 | |
| SCHEMBL27133307 | 0.64 | CYP2A6 (0.53) | CTSLCTSSCTSKTACR1OPRM1 | |
| SCHEMBL27032777 | 0.64 | CYP2A6 (0.53) | CTSLCTSSCTSKTACR1OPRM1 | |
| SCHEMBL6888466 | 0.63 | USP2 (0.47) | CYP3A4MAPK1TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993003721-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION | WARNER-LAMBERT COMPANY (US) | 1993-03-04 | — | — | WO | claimed |