Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | AGER | Q15109 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 3/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22293305 | 0.92 | CNR1 (0.36) | CNR2NPC1RAB9AALDH1A1 | |
| SCHEMBL22293268 | 0.88 | KDM4E (0.36) | SLC6A4ALDH1A1 | |
| SCHEMBL22293266 | 0.82 | PPARD (0.37) | CYP2D6SLC6A2SLC6A4CYP2C19SLC6A3 | |
| SCHEMBL22293282 | 0.80 | HPGD (0.35) | — | |
| SCHEMBL22292917 | 0.79 | ALDH1A1 (0.36) | NPC1RAB9ACTSLALDH1A1MAPK1 | |
| SCHEMBL22293291 | 0.78 | KDM4E (0.37) | CNR2NPC1RAB9AAGERALDH1A1 | |
| SCHEMBL18975170 | 0.77 | CMKLR1 (0.42) | SMN1; SMN2CNR2NPC1RAB9AGAA | |
| SCHEMBL18975177 | 0.77 | CMKLR1 (0.43) | SMN1; SMN2CNR2NPC1RAB9AGAA | |
| SCHEMBL22293306 | 0.77 | SMN1; SMN2 (0.38) | NR1D1SMN1; SMN2CNR2NPC1RAB9A | |
| SCHEMBL18975167 | 0.76 | GAA (0.37) | SMN1; SMN2CNR2NPC1RAB9AGAA |
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-3388425-B1 | AMINOAZOLE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2020-08-05 | — | — | EP | disclosed |