Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19464642 | 0.86 | CYP2A6 (0.38) | CYP2A6CRHR1ALDH1A1TRPV4S1PR1 | |
| SCHEMBL20963140 | 0.82 | AR (0.37) | CYP2A6CRHR1SLC6A3TRPV4MEN1 | |
| SCHEMBL18552786 | 0.82 | CYP2A6 (0.35) | CYP2A6SLC6A3TRPV4MEN1KMT2A | |
| SCHEMBL24767625 | 0.82 | MEN1 (0.35) | CYP2A6ALDH1A1SLC6A3TRPV4MEN1 | |
| SCHEMBL28248925 | 0.80 | CYP2A6 (0.44) | CYP2A6ALDH1A1GLAESR1ESR2 | |
| SCHEMBL22796684 | 0.80 | AR (0.42) | TRPV4AR | |
| SCHEMBL19068977 | 0.79 | SCN1A (0.40) | CYP2A6SLC6A3TRPV4MEN1KMT2A | |
| SCHEMBL21725516 | 0.78 | TRPV4 (0.42) | ALDH1A1TRPV4GLAAR | |
| SCHEMBL105403 | 0.78 | ALDH1A1 (0.43) | CYP2A6ALDH1A1GLAAR | |
| SCHEMBL19987487 | 0.77 | CRHR1 (0.42) | CYP2A6CRHR1ALDH1A1TRPV4MEN1 |
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-3124482-B1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) | 2019-09-11 | — | — | EP | disclosed |