Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3887726 | 0.89 | CACNA2D1 (0.41) | CACNA2D1ACHEALDH1A1KDM4EGAA | |
| SCHEMBL4777085 | 0.76 | CACNA2D1 (0.40) | CACNA2D1ACHEALDH1A1KDM4EGAA | |
| SCHEMBL17799171 | 0.72 | USP2 (0.52) | APPACHEALDH1A1KDM4EGAA | |
| SCHEMBL3875260 | 0.66 | KDM4E (0.41) | CACNA2D1APPACHEALDH1A1KDM4E | |
| SCHEMBL5471094 | 0.65 | CACNA2D1 (0.80) | CACNA2D1APPACHEALDH1A1KDM4E | |
| SCHEMBL8288054 | 0.65 | CACNA2D1 (0.80) | CACNA2D1APPACHEALDH1A1KDM4E | |
| SCHEMBL5468037 | 0.65 | CACNA2D1 (0.80) | CACNA2D1APPACHEALDH1A1KDM4E | |
| SCHEMBL30981743 | 0.64 | PRNP (0.47) | RXFP1HDAC3APPACHEHDAC4 | |
| SCHEMBL13696895 | 0.64 | ACHE (0.67) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL4777093 | 0.63 | CACNA2D1 (0.52) | CACNA2D1 |
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 |