Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | SORD | Q00796 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11626044 | 0.86 | DRD3 (0.45) | DRD3ALDH1A1CYP2A6SORDHRH4 | |
| SCHEMBL11628195 | 0.84 | DRD3 (0.48) | DRD3SLC2A1CYP2A6HRH4 | |
| SCHEMBL11624788 | 0.83 | CYP2A6 (0.41) | DRD3CYP2D6CYP2A6SORDHRH4 | |
| SCHEMBL11623291 | 0.81 | DRD3 (0.47) | DRD3SLC2A1 | |
| SCHEMBL11622635 | 0.81 | OPRL1 (0.40) | DRD3CYP2A6SORDHRH4 | |
| SCHEMBL11626663 | 0.81 | HRH4 (0.52) | DRD3CYP3A4ALDH1A1CYP2A6SORD | |
| SCHEMBL11626032 | 0.81 | OPRL1 (0.56) | DRD3CYP2D6CYP3A4TSHRL3MBTL1 | |
| SCHEMBL11624430 | 0.80 | HRH4 (0.51) | DRD3CYP3A4ALDH1A1CYP2A6SORD | |
| Hydrochloric Acid SCHEMBL11626166 | 0.80 | HRH4 (0.51) | DRD3CYP3A4CYP2A6SORDHRH4 | |
| SCHEMBL11623961 | 0.79 | CYP3A4 (0.43) | DRD3CYP3A4CYP2A6SORDHRH4 |
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-4122180-A | Isoquinolines and anti-depressants containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-10-24 | — | — | US | disclosed |