Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4745845 | 0.84 | CYP2D6 (0.50) | KDM4EALDH1A1CYP2D6GAAPPARA | |
| SCHEMBL10235903 | 0.84 | KDM4E (0.56) | KDM4EALDH1A1CYP2D6GAAPPARA | |
| SCHEMBL609922 | 0.83 | TAAR1 (0.53) | KDM4EALDH1A1CYP2D6GAAPPARA | |
| SCHEMBL10235923 | 0.83 | PPARA (0.55) | KDM4EALDH1A1CYP2D6GAAPPARA | |
| SCHEMBL4568869 | 0.83 | CYP2D6 (0.57) | KDM4EALDH1A1CYP2D6GAAPPARA | |
| SCHEMBL610321 | 0.82 | TAAR1 (0.51) | KDM4EALDH1A1CYP2D6GAAPPARA | |
| SCHEMBL7062770 | 0.82 | MAPK1 (0.57) | KDM4EALDH1A1CYP2D6GAACYP1A2 | |
| SCHEMBL14658803 | 0.81 | KDM4E (0.49) | KDM4EALDH1A1CYP2D6GAAPPARA | |
| SCHEMBL2206320 | 0.81 | TAAR1 (0.54) | KDM4EALDH1A1CYP2D6GAACHRM2 | |
| SCHEMBL13862468 | 0.81 | KDM4E (0.56) | KDM4EALDH1A1CYP2D6GAACHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863477-B1 | 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION | NOVARTIS AG (CH) | 2010-11-03 | — | — | EP | disclosed |