Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2267807 | 0.91 | NPY5R (0.37) | CYP1A2CYP3A4CYP2D6KMT2ANPC1 | |
| SCHEMBL6287768 | 0.72 | SMN1; SMN2 (0.40) | RPS6KA3CYP1A2PDE10AKMT2ANPC1 | |
| SCHEMBL6288020 | 0.69 | KDM4E (0.41) | CYP1A2CYP2D6KMT2ANPC1RAB9A | |
| SCHEMBL6283327 | 0.68 | ALDH1A1 (0.44) | RPS6KA3CYP1A2KMT2ANPC1RAB9A | |
| SCHEMBL14583514 | 0.68 | POLB (0.41) | CYP1A2PDE10ARAB9AMAPTPOLB | |
| SCHEMBL14556782 | 0.66 | POLB (0.39) | CYP3A4PDE10AKMT2ARAB9AMAPT | |
| SCHEMBL14556396 | 0.64 | POLB (0.39) | PDE10AKMT2ANPC1RAB9AMAPT | |
| SCHEMBL6286047 | 0.63 | ADORA2A (0.37) | KMT2ANPC1MAPTPOLBKDM4E | |
| SCHEMBL6279729 | 0.63 | — | — | |
| SCHEMBL6286486 | 0.63 | PIN1 (0.45) | CYP1A2KMT2AMAPTKDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1413286-B1 | Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent | OREAL (FR) | 2009-04-22 | — | — | EP | disclosed |
| EP-1459732-A1 | Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler | L'OREAL (FR) | 2004-09-22 | — | — | EP | disclosed |
| EP-1413286-A1 | Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent | L'OREAL (FR) | 2004-04-28 | — | — | EP | disclosed |