Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.42 |
| ▸ | HTR3B | O95264 | 3/20 | 0.42 |
| ▸ | HTR3A | P46098 | 3/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19012363 | 0.84 | ADRB2 (0.39) | ADRB2CYP1A2HTR3EHTR3BHTR3A | |
| SCHEMBL19012355 | 0.84 | HRH4 (0.46) | ADRB2CYP1A2HTR3EHTR3BHTR3A | |
| SCHEMBL29388809 | 0.74 | ADRB2 (0.97) | ADRB2CYP1A2CYP2C9ADRB1HTR3E | |
| SCHEMBL906077 | 0.74 | ADRB2 (0.97) | ADRB2CYP1A2CYP2C9ADRB1HTR3E | |
| SCHEMBL5585294 | 0.73 | ADRB2 (0.62) | ADRB2CYP1A2CYP2C9ADRB1HTR3E | |
| SCHEMBL5585796 | 0.73 | ADRB2 (0.58) | ADRB2CYP1A2CYP2C9ADRB1HTR3E | |
| Hydrochloric Acid SCHEMBL5585896 | 0.72 | ADRB2 (1.00) | ADRB2CYP1A2CYP2C9ADRB1HTR3E | |
| SCHEMBL19001080 | 0.72 | ADRB2 (0.40) | ADRB2CYP1A2HTR3EHTR3BHTR3A | |
| SCHEMBL4117671 | 0.71 | ALDH1A1 (0.61) | ADRB2ALDH1A1KDM4EIRAK4 | |
| SCHEMBL17128345 | 0.71 | OGA (0.50) | ADRB1ALDH1A1KDM4EHRH4HRH3 |
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-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |