Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.41 |
| ▸ | USP2 | O75604 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4610582 | 0.86 | ALDH1A1 (0.45) | APLNRTP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4599436 | 0.79 | APLNR (0.54) | APLNRTP53ERBB2PRKACARPS6KB1 | |
| SCHEMBL4599467 | 0.79 | APLNR (0.54) | APLNRTP53ERBB2PRKACARPS6KB1 | |
| SCHEMBL4599690 | 0.79 | APLNR (0.54) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL4599421 | 0.77 | MAOB (0.50) | APLNRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4599680 | 0.77 | MAPT (0.52) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL4599588 | 0.76 | KDM4E (0.37) | ALDH1A1LMNA | |
| SCHEMBL4599391 | 0.75 | HTT (0.40) | ALDH1A1LMNA | |
| SCHEMBL28975506 | 0.71 | CYP1A2 (0.59) | APLNRTP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1530735 | 0.71 | APLNR (0.65) | APLNRTP53CYP1A2CYP3A4CYP2D6 |
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-1910320-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011065-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-01-25 | — | — | WO | disclosed |