Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15037980 | 0.97 | KDM1A (0.43) | KDM1AHRH3CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL15038014 | 0.91 | KDM1A (0.42) | KDM1AHRH3CYP3A4ALOX15HPGD | |
| SCHEMBL15037984 | 0.90 | HRH3 (0.46) | KDM1AHRH3CYP3A4 | |
| SCHEMBL15037987 | 0.89 | HRH3 (0.48) | KDM1AHRH3CYP3A4MAPTRECQL | |
| SCHEMBL15037985 | 0.86 | HRH3 (0.42) | KDM1AHRH3CYP3A4ALDH1A1MAPT | |
| SCHEMBL15038009 | 0.84 | HRH3 (0.44) | KDM1AHRH3CYP3A4ALDH1A1KMT2A | |
| SCHEMBL4422995 | 0.84 | BRD4 (0.42) | HRH3ALOX15HPGDHTTALDH1A1 | |
| SCHEMBL15038011 | 0.83 | HRH3 (0.46) | KDM1AHRH3CYP3A4ALDH1A1KMT2A | |
| SCHEMBL15037578 | 0.82 | HRH3 (0.40) | HRH3CYP3A4ALDH1A1KMT2AMEN1 | |
| SCHEMBL15037982 | 0.81 | HRH3 (0.47) | HRH3CYP3A4ALDH1A1LMNA |
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 |