Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15810312 | 0.84 | APP (0.61) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL28223763 | 0.84 | APP (0.61) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL18381453 | 0.84 | NPC1 (0.57) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL30872347 | 0.80 | NPC1 (0.53) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL13615234 | 0.77 | SMN1; SMN2 (0.52) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL3163586 | 0.77 | RELA (0.70) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL2604933 | 0.77 | RELA (0.70) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL13304752 | 0.74 | NPC1 (0.62) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL18774336 | 0.73 | MAPT (0.71) | CYP3A4SMN1; SMN2NPC1HPGDCYP1A2 | |
| SCHEMBL15087416 | 0.73 | APP (0.41) | CYP3A4MAPTALDH1A1APPMEN1 |
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-2677990-B1 | COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT | OREAL (FR) | 2019-05-15 | — | — | EP | disclosed |