Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.72 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 4/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23546380 | 0.84 | CYP2A6 (0.68) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL3608558 | 0.84 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL28154455 | 0.84 | CYP2A6 (0.72) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL1436058 | 0.81 | ALK (1.00) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL27904997 | 0.81 | CYP2D6 (0.68) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL1696565 | 0.81 | L3MBTL1 (0.63) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL5103972 | 0.80 | CYP2D6 (0.67) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL22191641 | 0.80 | CYP2D6 (0.67) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| SCHEMBL22191575 | 0.80 | ALK (0.58) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 | |
| Hydrochloric Acid SCHEMBL22320090 | 0.79 | CYP2D6 (0.65) | CYP2A6CYP2C19CYP2C9CYP2B6CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6506747-B1 | Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-01-14 | — | — | US | disclosed |
| WO-1999062885-A1 | SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1999-12-09 | — | — | WO | disclosed |