Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 16/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9867103 | 0.87 | DRD4 (0.63) | MCHR1KCNH2CYP1A2CYP3A4ADRA2A | |
| SCHEMBL9867552 | 0.87 | DRD4 (0.63) | KCNH2CYP1A2CYP3A4ADRA2ACYP2D6 | |
| SCHEMBL9866850 | 0.87 | DRD4 (0.66) | MCHR1KCNH2CYP1A2CYP3A4ADRA2A | |
| SCHEMBL9866244 | 0.86 | DRD4 (0.75) | MCHR1KCNH2CYP1A2CYP3A4ADRA2A | |
| SCHEMBL9867393 | 0.85 | MCHR1 (0.62) | MCHR1KCNH2CYP1A2CYP3A4ADRA2A | |
| Hydrochloric Acid SCHEMBL9867297 | 0.85 | DRD4 (0.74) | MCHR1KCNH2CYP1A2CYP3A4ADRA2A | |
| SCHEMBL9865657 | 0.84 | DRD4 (0.63) | KCNH2CYP1A2CYP3A4ADRA2ACYP2D6 | |
| Iodomethane SCHEMBL9866905 | 0.84 | DRD4 (0.73) | MCHR1KCNH2CYP1A2CYP3A4ADRA2A | |
| SCHEMBL9866998 | 0.84 | DRD3 (0.59) | MCHR1KCNH2CYP1A2CYP3A4ADRA2A | |
| SCHEMBL9867710 | 0.82 | DRD4 (0.59) | KCNH2CYP1A2CYP3A4ADRA2ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5026858-A | Used for treating nausea, vomating, gastrointestinal disorders and centarl nervous system | WALTON S.A. (ES) | 1991-06-25 | — | — | US | disclosed |