Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 10/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3888568 | 0.89 | RXFP1 (0.37) | CACNA2D1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL4777085 | 0.85 | CACNA2D1 (0.40) | CACNA2D1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL3875260 | 0.74 | KDM4E (0.41) | CACNA2D1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL17799171 | 0.74 | USP2 (0.52) | KDM4EALDH1A1HPGDGAASLC6A2 | |
| SCHEMBL4777093 | 0.71 | CACNA2D1 (0.52) | CACNA2D1 | |
| SCHEMBL4778635 | 0.70 | KDM4E (0.40) | CACNA2D1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL28241436 | 0.68 | KDM4E (0.55) | CACNA2D1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL12386870 | 0.68 | KDM4E (0.50) | CACNA2D1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL6266749 | 0.67 | KDM4E (0.53) | CACNA2D1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL29099813 | 0.67 | GPR3 (0.42) | CACNA2D1KDM4EALDH1A1HPGDGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1687275-A4 | PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | MERCK & CO INC (US) | 2009-01-14 | — | — | EP | disclosed |
| EP-1687275-A1 | PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | Merck & Co., Inc. (US) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051915-A1 | PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | MERCK & CO., INC. (US) | 2005-06-09 | — | — | WO | disclosed |