Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6198745 | 0.89 | NISCH (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL7654365 | 0.85 | ALDH1A1 (0.48) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5151126 | 0.79 | NISCH (0.69) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22530455 | 0.78 | CYP3A4 (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1386454 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7313533 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9720036 | 0.76 | HTT (0.58) | ALDH1A1HTTLMNA | |
| SCHEMBL433497 | 0.76 | HTT (0.58) | ALDH1A1HTTLMNA | |
| SCHEMBL1288593 | 0.76 | NISCH (0.59) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL10425373 | 0.76 | ALDH1A1 (0.57) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6339092-B1 | FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS | ADIR ET COMPAGNIE (FR) | 2002-01-15 | — | — | US | disclosed |