Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | PRKCB | P05771 | 2/20 | 0.46 |
| ▸ | PRKCA | P17252 | 2/20 | 0.46 |
| ▸ | PRKCH | P24723 | 2/20 | 0.46 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.46 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.46 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.46 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.45 |
| ▸ | PRKCI | P41743 | 1/20 | 0.45 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.45 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.45 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14060119 | 0.88 | EPHX2 (0.54) | ROCK2ROCK1PRKCBPRKCAPRKCH | |
| SCHEMBL319950 | 0.85 | CYP1A2 (0.53) | ROCK2ROCK1CYP1A2CYP3A4KDM4E | |
| SCHEMBL14060115 | 0.82 | CYP1A2 (0.55) | EPHX2CYP1A2CYP3A4KDM4EMEN1 | |
| SCHEMBL3319555 | 0.78 | HTR7 (0.58) | EPHX2CYP1A2CYP3A4KDM4EMEN1 | |
| SCHEMBL6351651 | 0.75 | ADRB2 (0.61) | ACVR1BMPR1BBMPR1AACVRL1TGFBR1 | |
| SCHEMBL3320446 | 0.74 | HTR7 (0.60) | EPHX2KDM4E | |
| SCHEMBL13372782 | 0.74 | EPHX2 (0.62) | EPHX2 | |
| SCHEMBL21384399 | 0.73 | EPHX2 (0.50) | EPHX2CYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL7282842 | 0.73 | ROCK2 (0.51) | ROCK2ROCK1PRKCBPRKCAPRKCH | |
| SCHEMBL29335185 | 0.72 | MEN1 (0.50) | EPHX2CYP1A2CYP3A4MEN1CYP2D6 |
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-2590946-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | Merck Patent GmbH (DE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003912-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | MERCK PATENT GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |