Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | RBP4 | P02753 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17234812 | 0.86 | CYP2C19 (0.37) | ALDH1A1KDM4ERBP4CYP2C19THRB | |
| SCHEMBL17232665 | 0.83 | ALDH1A1 (0.51) | ALDH1A1KDM4ERBP4CYP2C19THRB | |
| SCHEMBL20952910 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KDM4ERBP4CYP2C19THRB | |
| SCHEMBL17229717 | 0.81 | KDM4E (0.49) | ALDH1A1KDM4ERBP4CYP2C19 | |
| SCHEMBL17224414 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4ERBP4CYP2C19THRB | |
| SCHEMBL18798831 | 0.76 | KDM4E (0.39) | ALDH1A1KDM4ERBP4 | |
| SCHEMBL17232671 | 0.75 | KDM4E (0.43) | ALDH1A1KDM4ERBP4CYP2C19 | |
| SCHEMBL20033616 | 0.74 | CHRM3 (0.31) | RBP4CYP2C19CHRM3 | |
| SCHEMBL17232675 | 0.74 | KDM4E (0.45) | ALDH1A1KDM4ERBP4CYP2C19HTR6 | |
| SCHEMBL19413423 | 0.74 | KDM4E (0.42) | ALDH1A1KDM4ERBP4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015168286-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARAITON AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-11-05 | — | — | WO | disclosed |