Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5232559 | 0.88 | OPRM1 (0.37) | OPRM1GAABRD4CHRM2CHRM3 | |
| SCHEMBL5232570 | 0.88 | OPRM1 (0.37) | OPRM1GAABRD4CHRM2CHRM3 | |
| SCHEMBL5234101 | 0.88 | GAA (0.39) | OPRM1GAABRD4CACNA2D1USP2 | |
| SCHEMBL5236494 | 0.88 | GAA (0.35) | OPRM1GAACHRM2CHRM3CACNA2D1 | |
| SCHEMBL5239704 | 0.86 | NPSR1 (0.41) | OPRM1GAABRD4USP2ATM | |
| SCHEMBL5239714 | 0.86 | NPSR1 (0.41) | OPRM1GAABRD4USP2ATM | |
| SCHEMBL5237036 | 0.86 | CACNA2D1 (0.42) | OPRM1CHRM2CHRM3CACNA2D1POLB | |
| SCHEMBL5237215 | 0.85 | CACNA2D1 (0.36) | OPRM1CHRM2CHRM3CACNA2D1KMT2A | |
| SCHEMBL5237690 | 0.84 | CACNA2D1 (0.41) | OPRM1CACNA2D1KMT2A | |
| SCHEMBL5238148 | 0.83 | POLB (0.40) | OPRM1CACNA2D1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730116-B1 | 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2007-09-05 | — | — | EP | claimed |