Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 16/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3769052 | 1.00 | TACR1 (0.43) | TACR1SCN9ACACNA1CCTSSCTSK | |
| SCHEMBL3780643 | 0.89 | CTSS (0.45) | SCN9ACACNA1CCTSSCTSKCYP3A4 | |
| SCHEMBL3780647 | 0.89 | CTSS (0.45) | SCN9ACACNA1CCTSSCTSKCYP3A4 | |
| SCHEMBL1269650 | 0.77 | SCN9A (0.54) | TACR1SCN9ACACNA1CCTSSCTSK | |
| SCHEMBL1269653 | 0.77 | SCN9A (0.54) | TACR1SCN9ACACNA1CCTSSCTSK | |
| SCHEMBL1270449 | 0.73 | SCN9A (0.54) | SCN9ACACNA1CCTSSCTSKCYP3A4 | |
| SCHEMBL1270451 | 0.73 | SCN9A (0.54) | SCN9ACACNA1CCTSSCTSKCYP3A4 | |
| SCHEMBL6763938 | 0.72 | PTGER1 (0.40) | — | |
| SCHEMBL3773215 | 0.72 | AAK1 (0.53) | SCN9ACACNA1CCYP3A4 | |
| SCHEMBL9912465 | 0.72 | PPARG (0.35) | TACR1SCN9ACTSSCTSKCYP3A4 |
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-102482221-B | bicyclic and tricyclic compounds as KATII inhibitors | PFIZER INC. (US) | 2014-10-22 | — | — | CN | disclosed |