Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL7232820 | 0.87 | ALDH1A1 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2KDM4E | |
| SCHEMBL7240172 | 0.86 | EPHX2 (0.48) | EPHX2MAPTCYP11B1CYP11B2ABL1 | |
| SCHEMBL5205222 | 0.81 | EPHX2 (0.48) | EPHX2MAPTABL1PDGFRB | |
| SCHEMBL7233535 | 0.78 | CACNA1B (0.42) | CYP3A4CYP2C9CYP2C19EPHX2KDM4E | |
| SCHEMBL7092382 | 0.77 | ITK (0.31) | — | |
| SCHEMBL7244223 | 0.74 | KDM4E (0.35) | KDM4EMAPT | |
| SCHEMBL7235236 | 0.73 | EPHX2 (0.52) | EPHX2MAPTABL1PDGFRB | |
| SCHEMBL7630028 | 0.71 | ABCB1 (0.36) | DYRK1ACYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7243350 | 0.71 | ALDH1A1 (0.46) | CYP3A4CYP2C9CYP2C19EPHX2KDM4E | |
| SCHEMBL15070258 | 0.71 | KDM4E (0.46) | CYP3A4CYP2C9CYP2C19EPHX2KDM4E |
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-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 | claimed |