Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.51 |
| ▸ | RELA | Q04206 | 3/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.51 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | ROS1 | P08922 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1807830 | 0.77 | ALDH1A1 (0.55) | SMN1; SMN2KMT2AMAPTMEN1NFKB1 | |
| SCHEMBL1822611 | 0.73 | SMN1; SMN2 (0.84) | SMN1; SMN2KMT2AMAPTMEN1NFKB1 | |
| SCHEMBL7554523 | 0.73 | ALOX5 (0.84) | ROCK1SMN1; SMN2KMT2AMAPTMEN1 | |
| SCHEMBL15878678 | 0.73 | ROCK1 (1.00) | ROCK1SMN1; SMN2KMT2AMAPTMEN1 | |
| Bromide SCHEMBL7670429 | 0.71 | ALOX5 (0.82) | ROCK1SMN1; SMN2KMT2AMAPTMEN1 | |
| Bromide SCHEMBL3354419 | 0.70 | KMT2A (0.58) | ROCK1SMN1; SMN2KMT2AMAPTMEN1 | |
| SCHEMBL5772080 | 0.70 | KDM4E (0.60) | ROCK1SMN1; SMN2KMT2AMAPTMEN1 | |
| SCHEMBL28820119 | 0.70 | MAPK10 (0.54) | KMT2AMAPTMEN1CDK2GAA | |
| SCHEMBL1886135 | 0.69 | SMN1; SMN2 (1.00) | ROCK1SMN1; SMN2KMT2AMAPTMEN1 | |
| SCHEMBL12639826 | 0.68 | SMN1; SMN2 (1.00) | SMN1; SMN2KMT2AMAPTMEN1NFKB1 |
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-2009010871-A2 | PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR | ADDEX PHARMA S.A. (CH) | 2009-01-22 | — | — | WO | disclosed |