Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6918706 | 0.87 | GPBAR1 (0.36) | GPBAR1 | |
| SCHEMBL6914941 | 0.82 | VHL (0.38) | — | |
| SCHEMBL6816154 | 0.71 | GPBAR1 (0.36) | GPBAR1TRPA1AAK1 | |
| SCHEMBL6918709 | 0.71 | F2 (0.41) | — | |
| SCHEMBL6919609 | 0.69 | CFD (0.40) | TRPA1 | |
| SCHEMBL6920452 | 0.68 | SCN9A (0.36) | GPBAR1AAK1SCN9A | |
| SCHEMBL6919273 | 0.67 | SCN9A (0.35) | GPBAR1PTGER1ENPP2AAK1SCN9A | |
| SCHEMBL6078132 | 0.67 | F2 (0.51) | — | |
| SCHEMBL6921239 | 0.65 | F2 (0.38) | GPBAR1AAK1 | |
| SCHEMBL6922183 | 0.65 | CYP3A4 (0.48) | GPBAR1 |
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-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |