Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CPN1 | P15169 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21525433 | 0.88 | CYP3A4 (0.44) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL10415544 | 0.79 | ACP3 (0.44) | ALDH1A1TDP1ADRB1AOC3MIF | |
| SCHEMBL14443273 | 0.79 | ADRB1 (0.58) | CYP3A4ALDH1A1CA2CA9CA12 | |
| SCHEMBL4282395 | 0.79 | TSHR (0.47) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL30317737 | 0.79 | ADRB1 (0.58) | CYP3A4ALDH1A1CA2CA9CA12 | |
| SCHEMBL19589404 | 0.78 | HDAC8 (0.44) | CYP3A4ALDH1A1TDP1ADRB1AOC3 | |
| SCHEMBL12791279 | 0.78 | ACP3 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2ADRB1 | |
| SCHEMBL1525214 | 0.78 | SLC6A2 (0.42) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5378913 | 0.78 | CES2 (0.47) | SLC6A2SLC6A4AOC3 | |
| SCHEMBL26262585 | 0.78 | ACP3 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2ADRB1 |
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-3319955-B1 | 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS | GILEAD SCIENCES INC (US) | 2020-11-25 | — | — | EP | disclosed |