Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29224293 | 0.79 | ALDH1A1 (0.35) | ALDH1A1PPM1BPTPN1PPP1CCTSHR | |
| SCHEMBL24993950 | 0.78 | CYP2C19 (0.37) | ALDH1A1PPM1BPTPN1PPP1CCCYP2C9 | |
| SCHEMBL25604017 | 0.76 | CYP3A4 (0.42) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL19565576 | 0.74 | — | — | |
| SCHEMBL4914627 | 0.74 | — | — | |
| SCHEMBL19565577 | 0.74 | — | — | |
| SCHEMBL16035061 | 0.71 | MAPT (0.47) | ALDH1A1PPM1BPTPN1PPP1CCCYP2C9 | |
| SCHEMBL21777465 | 0.71 | CYP3A4 (0.43) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL23852916 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL12966496 | 0.69 | — | — |
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-2015125785-A1 | PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS | 第一三共株式会社 | 2015-08-27 | — | — | WO | disclosed |