Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | GPR183 | P32249 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | EED | O75530 | 1/20 | 0.37 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17127921 | 1.00 | SMO (0.44) | SMOPGRGPR183LRRK2ACVR1 | |
| SCHEMBL17128422 | 0.91 | CNR2 (0.46) | SMOPGRGPR183LRRK2ACVR1 | |
| SCHEMBL17128326 | 0.91 | CNR2 (0.46) | SMOPGRGPR183LRRK2ACVR1 | |
| SCHEMBL17127914 | 0.90 | LRRK2 (0.40) | SMOPGRGPR183LRRK2ACVR1 | |
| SCHEMBL21336664 | 0.89 | HRH4 (0.42) | SMOPGRGPR183LRRK2HRH4 | |
| SCHEMBL18436706 | 0.89 | HRH4 (0.42) | SMOPGRGPR183LRRK2HRH4 | |
| SCHEMBL17127848 | 0.89 | HRH4 (0.42) | SMOPGRGPR183LRRK2HRH4 | |
| SCHEMBL18436214 | 0.89 | SMO (0.47) | SMOPGRGPR183LRRK2ACVR1 | |
| SCHEMBL18436710 | 0.88 | AOC3 (0.40) | SMOPGRGPR183LRRK2ACVR1 | |
| SCHEMBL18436708 | 0.88 | AOC3 (0.40) | SMOPGRGPR183LRRK2ACVR1 |
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 |