Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | CCR2 | P41597 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4928836 | 0.90 | CYP2D6 (0.47) | ROCK2ROCK1CYP2D6ACKR3MEN1 | |
| SCHEMBL4927429 | 0.79 | ROCK2 (0.55) | ROCK2ROCK1CCR2BCHEACHE | |
| SCHEMBL4919690 | 0.79 | ROCK2 (0.54) | ROCK2ROCK1CCR2MEN1KMT2A | |
| SCHEMBL4930817 | 0.75 | PIM1 (0.53) | ROCK2ROCK1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL4925453 | 0.74 | ROCK2 (0.45) | ROCK2ROCK1MAOAMAOB | |
| SCHEMBL12090266 | 0.72 | BCHE (0.59) | CYP2D6ACKR3MEN1KMT2APOLB | |
| SCHEMBL4930886 | 0.72 | ALDH1A1 (0.46) | CYP2D6MEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL4148646 | 0.70 | KDM4C (0.45) | ROCK2ROCK1 | |
| SCHEMBL658299 | 0.69 | ROCK2 (0.62) | ROCK2ROCK1CCR2CYP2D6CYP1A2 | |
| SCHEMBL4932040 | 0.69 | PRKCI (0.46) | — |
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-1814856-A1 | NITROGEN HETEROAROMATIC COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES | Galapagos N.V. (BE) | 2007-08-08 | — | — | EP | claimed |
| WO-2006051311-A1 | NITROGEN HETEROAROMATIC COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES | GALAPAGOS NV (BE) | 2006-05-18 | — | — | WO | claimed |