Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.53 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.53 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.51 |
| ▸ | TSHR | P16473 | 11/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL319651 | 0.80 | APLNR (0.55) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL29736330 | 0.77 | APLNR (0.55) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL319454 | 0.77 | APLNR (0.55) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL319266 | 0.77 | APLNR (0.63) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL16368537 | 0.74 | CYP1A2 (0.62) | APLNRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27948920 | 0.74 | APLNR (0.69) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL14920464 | 0.74 | CYP1A2 (0.56) | APLNRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL322837 | 0.74 | GAA (0.60) | APLNRERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL783785 | 0.73 | APLNR (1.00) | APLNRTSHRALDH1A1MEN1KMT2A | |
| SCHEMBL14921907 | 0.73 | APLNR (0.54) | APLNRERBB2PRKACARPS6KB1GSK3A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590972-A2 | CHEMICAL COMPOUNDS | Pfizer Limited (GB) | 2013-05-15 | — | — | EP | disclosed |
| EP-2590957-A2 | CHEMICAL COMPOUNDS | Pfizer Limited (GB) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004714-A2 | CHEMICAL COMPOUNDS | PFIZER LIMITED (GB) | 2012-01-12 | — | — | WO | disclosed |
| WO-2012004706-A2 | CHEMICAL COMPOUNDS | PFIZER LIMITED (GB) | 2012-01-12 | — | — | WO | disclosed |