Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.39 |
| ▸ | HPGD | P15428 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 7/20 | 0.35 |
| ▸ | GLA | P06280 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3618684 | 0.83 | KDM4E (0.56) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL3375185 | 0.78 | RRM2 (0.38) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL26133360 | 0.75 | CA12 (0.39) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL8574838 | 0.74 | KDM4E (0.40) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL23578420 | 0.73 | HPGD (0.46) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL7081554 | 0.72 | CA12 (0.37) | ALDH1A1CYP1A2CYP2C19HPGDHSD17B10 | |
| SCHEMBL1161377 | 0.72 | TSHR (0.39) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL9686700 | 0.71 | GABRA1 (0.42) | CYP1A2CYP2C19KDM4ETSHRCYP3A4 | |
| SCHEMBL9408907 | 0.71 | L3MBTL1 (0.40) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL4784858 | 0.70 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDGAAMAPT |
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-0797980-A1 | Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds | Wella Aktiengesellschaft (DE) | 1997-10-01 | — | — | EP | disclosed |