Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8377695 | 0.88 | MAPT (0.45) | SMPD1MAPTALOX15TDP1KDM4E | |
| SCHEMBL8374724 | 0.85 | MAPT (0.47) | MAPTTDP1KDM4ETLR8DYRK1A | |
| SCHEMBL8517656 | 0.83 | GAA (0.41) | MAPTKDM4EALDH1A1HPGDTLR8 | |
| SCHEMBL8375341 | 0.81 | SMPD1 (0.45) | SMPD1MAPTKDM4EALDH1A1TLR8 | |
| SCHEMBL9739287 | 0.78 | SMPD1 (0.48) | SMPD1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL31043441 | 0.76 | PDE5A (0.49) | KDM4EALDH1A1DYRK1AADORA2ACYP1A2 | |
| SCHEMBL8374661 | 0.74 | HSD17B10 (0.43) | MAPTKDM4EALDH1A1HPGDTLR8 | |
| SCHEMBL8025272 | 0.73 | ALDH1A1 (0.43) | MAPTALOX15TDP1KDM4EALDH1A1 | |
| SCHEMBL8375126 | 0.73 | SRC (0.48) | MAPTALOX15TDP1KDM4EALDH1A1 | |
| SCHEMBL8375170 | 0.73 | ADORA2B (0.37) | KDM4EALDH1A1HPGDADORA2AADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900206-A1 | NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS | L'OREAL (FR) | 1999-03-10 | — | — | EP | claimed |
| WO-1997042173-A1 | NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS | L'OREAL (FR) | 1997-11-13 | — | — | WO | claimed |