Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20060173 | 0.77 | KDM4E (0.35) | RAB9AALDH1A1NPC1MAPTGAA | |
| SCHEMBL20060177 | 0.77 | HPD (0.36) | RAB9APOLBALDH1A1NPC1MAPT | |
| SCHEMBL20060212 | 0.74 | MAPT (0.32) | RAB9APOLBCES2CES1PTPN1 | |
| SCHEMBL20060183 | 0.74 | NPC1 (0.35) | RAB9APOLBALDH1A1NPC1HPGD | |
| SCHEMBL20060194 | 0.73 | ALDH1A1 (0.37) | RAB9APOLBCES2CES1ALDH1A1 | |
| SCHEMBL20060196 | 0.72 | CTSD (0.39) | RAB9AALDH1A1NPC1HPGDMAPK14 | |
| SCHEMBL10633663 | 0.71 | CES2 (0.44) | RAB9APOLBCES2CES1PTPN1 | |
| SCHEMBL20060147 | 0.70 | P2RX7 (0.38) | — | |
| SCHEMBL20059994 | 0.69 | NPC1 (0.36) | RAB9APOLBALDH1A1NPC1HPGD | |
| SCHEMBL20060139 | 0.69 | CMA1 (0.39) | ALDH1A1NPC1HPGDMAPTHTT |
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-2595987-B1 | NEW AMINOPYRAZOLOQUINAZOLINES | BOEHRINGER INGELHEIM INT (DE) | 2018-04-18 | — | — | EP | disclosed |