Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL20144740 | 0.90 | GAA (0.39) | HRH3BRD4ATAD2MEN1ALDH1A1 | |
| SCHEMBL15037988 | 0.86 | HRH3 (0.48) | HRH3SIGMAR1BRD4ATAD2CHRM2 | |
| SCHEMBL15037989 | 0.85 | HRH3 (0.50) | HRH3SIGMAR1BRD4ATAD2CHRM2 | |
| SCHEMBL15037970 | 0.83 | HRH3 (0.50) | HRH3SIGMAR1RENCYP3A4 | |
| SCHEMBL2674785 | 0.81 | ALDH1A1 (0.52) | HRH3SIGMAR1BRD4ATAD2MEN1 | |
| SCHEMBL15038009 | 0.81 | HRH3 (0.44) | HRH3SIGMAR1BRD4ATAD2CHRM2 | |
| Hydrochloric Acid SCHEMBL16335439 | 0.80 | ALDH1A1 (0.51) | HRH3BRD4ATAD2MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL20136159 | 0.80 | ALDH1A1 (0.51) | HRH3BRD4ATAD2MEN1ALDH1A1 | |
| SCHEMBL15038011 | 0.80 | HRH3 (0.46) | HRH3SIGMAR1BRD4ATAD2CHRM2 | |
| SCHEMBL12653974 | 0.79 | MEN1 (0.46) | HRH3SIGMAR1BRD4ATAD2MEN1 |
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 |