Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | REN | P00797 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 4/20 | 0.36 |
| ▸ | NOS2 | P35228 | 3/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15038009 | 0.88 | HRH3 (0.44) | BRD4ATAD2CHRM2CHRM4CYP3A4 | |
| SCHEMBL15038011 | 0.87 | HRH3 (0.46) | BRD4ATAD2CHRM2CHRM4CYP3A4 | |
| SCHEMBL15038010 | 0.86 | KDM1A (0.41) | BRD4ATAD2CYP3A4RENHRH3 | |
| SCHEMBL15038014 | 0.84 | KDM1A (0.42) | BRD4ATAD2CYP3A4RENHRH3 | |
| SCHEMBL15037984 | 0.82 | HRH3 (0.46) | BRD4ATAD2CHRM2CHRM4CYP3A4 | |
| SCHEMBL15037630 | 0.82 | REN (0.38) | BRD4ATAD2CYP3A4RENHRH3 | |
| SCHEMBL15037987 | 0.81 | HRH3 (0.48) | BRD4ATAD2CHRM2CHRM4CYP3A4 | |
| SCHEMBL15037985 | 0.81 | HRH3 (0.42) | BRD4ATAD2CYP3A4RENHRH3 | |
| SCHEMBL20144797 | 0.80 | BRD4 (0.42) | BRD4ATAD2CYP3A4RENHRH3 | |
| SCHEMBL20144712 | 0.79 | HRH3 (0.42) | BRD4ATAD2CHRM2CHRM4CHRM1 |
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-2791116-B1 | COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES | OREAL (FR) | 2018-05-16 | — | — | EP | disclosed |