Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 8/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL16653858 | 0.83 | DRD4 (0.49) | DRD4DRD2DRD3CYP1A2CYP3A4 | |
| SCHEMBL724263 | 0.80 | DRD4 (0.61) | DRD1KDM1ADRD4DRD2DRD3 | |
| SCHEMBL2769599 | 0.80 | DRD4 (0.61) | DRD1KDM1ADRD4DRD2DRD3 | |
| SCHEMBL2310082 | 0.80 | DRD4 (0.61) | DRD1KDM1ADRD4DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL13277454 | 0.79 | DRD4 (0.60) | DRD1KDM1ADRD4DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL13277453 | 0.79 | DRD4 (0.60) | DRD1KDM1ADRD4DRD2DRD3 | |
| Ammonia Solution, Strong SCHEMBL3510860 | 0.79 | DRD4 (0.60) | DRD1KDM1ADRD4DRD2DRD3 | |
| SCHEMBL28864634 | 0.78 | DRD1 (0.48) | DRD1KDM1AMCHR1CYP1A2CYP2C9 | |
| SCHEMBL4438692 | 0.77 | POLB (0.53) | DRD1DRD4TSHR | |
| Dimethylamine SCHEMBL7924053 | 0.77 | DRD4 (0.57) | DRD1KDM1ADRD4DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110105346-A | Optionally substituted quinoline compounds | 卫材R&D管理有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-106414432-B | Optionally substituted quinoline compounds | 卫材R&D管理有限公司 | 2019-06-14 | — | — | CN | disclosed |