Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SMO | Q99835 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | GPR183 | P32249 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | GAK | O14976 | 6/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17127983 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL18436713 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL18436839 | 0.93 | SMO (0.45) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL21336856 | 0.93 | SMO (0.45) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL18436111 | 0.93 | SMO (0.45) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL18436467 | 0.92 | SMO (0.42) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL19001155 | 0.92 | SMO (0.46) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL21336858 | 0.91 | AOC3 (0.44) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL18436461 | 0.91 | AOC3 (0.44) | ALDH1A1KDM4EHPGDNPSR1TDP1 | |
| SCHEMBL17127952 | 0.91 | AOC3 (0.44) | ALDH1A1KDM4EHPGDNPSR1TDP1 |
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 2 patents. 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 |
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |