Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.40 |
| ▸ | INCENP | Q9NQS7 | 3/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 7/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL342173 | 1.00 | AURKA (0.40) | AURKAAURKBINCENPRETRBP4 | |
| Trifluoroacetic Acid SCHEMBL342171 | 1.00 | AURKA (0.40) | AURKAAURKBINCENPRETRBP4 | |
| SCHEMBL342793 | 0.95 | RET (0.41) | RETRBP4PPARGEGFRHCRTR1 | |
| SCHEMBL342794 | 0.95 | RET (0.41) | RETRBP4PPARGEGFRHCRTR1 | |
| SCHEMBL342792 | 0.95 | RET (0.41) | RETRBP4PPARGEGFRHCRTR1 | |
| Trifluoroacetic Acid SCHEMBL343047 | 0.94 | AURKA (0.40) | AURKAAURKBINCENPRETRBP4 | |
| Trifluoroacetic Acid SCHEMBL343048 | 0.94 | AURKA (0.40) | AURKAAURKBINCENPRETRBP4 | |
| Trifluoroacetic Acid SCHEMBL342769 | 0.92 | IDH2 (0.39) | AURKAAURKBINCENPRBP4PPARG | |
| Trifluoroacetic Acid SCHEMBL342767 | 0.92 | IDH2 (0.39) | AURKAAURKBINCENPRBP4PPARG | |
| SCHEMBL342160 | 0.90 | IDH2 (0.41) | AURKAAURKBINCENPRETRBP4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411011-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | MSD K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111056-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-09-30 | — | — | WO | disclosed |