Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | CXCR3 | P49682 | 14/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3263594 | 0.93 | ROCK1 (0.50) | ROCK1CXCR3ALDH1A1TDP1KDM4E | |
| SCHEMBL3263593 | 0.93 | ROCK1 (0.50) | ROCK1CXCR3ALDH1A1TDP1KDM4E | |
| SCHEMBL428922 | 0.89 | CYP2A13 (0.50) | ROCK1ALDH1A1KDM4ESMN1; SMN2LPL | |
| SCHEMBL19211744 | 0.88 | KDM4E (0.52) | ROCK1CXCR3ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL18580506 | 0.88 | ROCK1 (0.48) | ROCK1CXCR3ALDH1A1TDP1KDM4E | |
| SCHEMBL18580183 | 0.87 | ROCK1 (0.45) | ROCK1CXCR3ALDH1A1TDP1KDM4E | |
| SCHEMBL21644162 | 0.87 | KDM4E (0.55) | ROCK1CXCR3ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL18579955 | 0.86 | ROCK1 (0.53) | ROCK1ALDH1A1TDP1KDM4ESMN1; SMN2 | |
| SCHEMBL2563557 | 0.86 | ROCK1 (0.48) | ROCK1CXCR3ALDH1A1TDP1KDM4E | |
| SCHEMBL20198185 | 0.85 | ROCK1 (0.49) | ROCK1CXCR3ALDH1A1KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010010184-A1 | [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS | GALAPAGOS NV (BE) | 2010-01-28 | — | — | WO | disclosed |