Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10061629 | 0.81 | YTHDC1 (0.47) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL20417180 | 0.79 | KDM4E (0.48) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL12776223 | 0.79 | KDM4E (0.48) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL13557136 | 0.78 | KDM4E (0.44) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL18901282 | 0.77 | KDM4E (0.47) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL6008592 | 0.75 | KDM4E (0.44) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL1259223 | 0.75 | KDM4E (0.45) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL254885 | 0.74 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4CYP1A2 | |
| SCHEMBL25233016 | 0.74 | CYP1A2 (0.61) | KDM4EGAACYP1A2ALDH1A1YTHDC1 | |
| SCHEMBL30424275 | 0.74 | CYP1A2 (0.61) | KDM4EGAACYP1A2ALDH1A1YTHDC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |