Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.57 |
| ▸ | PNMT | P11086 | 6/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD3 | P35462 | 4/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 3/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23782794 | 1.00 | KDM1A (0.57) | KDM1APNMTDRD2DRD3PDK2 | |
| SCHEMBL26892628 | 0.78 | KDM1A (0.57) | KDM1APNMTDRD2DRD3TRPA1 | |
| SCHEMBL23782971 | 0.77 | KDM1A (0.53) | KDM1APNMTDRD2DRD3PDK2 | |
| SCHEMBL29664282 | 0.74 | KDM1A (0.53) | KDM1APNMTDRD2DRD3PDK2 | |
| SCHEMBL26889683 | 0.74 | KDM1A (0.53) | KDM1APNMTDRD2DRD3TRPA1 | |
| SCHEMBL17987998 | 0.73 | KDM1A (1.00) | KDM1A | |
| SCHEMBL19764445 | 0.73 | KDM1A (0.72) | KDM1APNMTDRD2DRD3BACE1 | |
| SCHEMBL23569863 | 0.71 | KDM1A (0.40) | KDM1ADRD2PDK2BACE1 | |
| SCHEMBL29741279 | 0.70 | KDM1A (0.46) | KDM1APNMTPDK2BACE1 | |
| SCHEMBL28942392 | 0.70 | ESR1 (0.30) | — |
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-114591293-A | Fused ring compound as Nav1.8 inhibitor and application thereof | 成都康弘药业集团股份有限公司 | 2022-06-07 | — | — | CN | disclosed |