Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.74 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11623731 | 0.99 | DRD3 (0.73) | DRD3NPC1RAB9AHRH4NCOA3 | |
| SCHEMBL11625386 | 0.89 | DRD3 (0.68) | DRD3NPC1RAB9ANCOA3MEN1 | |
| SCHEMBL11625964 | 0.89 | DRD3 (0.68) | DRD3NPC1RAB9AHRH4NCOA3 | |
| SCHEMBL11624765 | 0.85 | DRD3 (0.81) | DRD3NCOA3MEN1KMT2APOLB | |
| SCHEMBL11627320 | 0.84 | DRD3 (0.64) | DRD3NPC1RAB9ANCOA3CYP2A6 | |
| SCHEMBL11626663 | 0.75 | HRH4 (0.52) | DRD3HRH4CYP2A6 | |
| Hydrochloric Acid SCHEMBL11626166 | 0.74 | HRH4 (0.51) | DRD3HRH4MEN1KMT2ACYP2A6 | |
| SCHEMBL11624430 | 0.74 | HRH4 (0.51) | DRD3HRH4CYP2A6 | |
| Lithium Ion SCHEMBL11624427 | 0.71 | HRH4 (0.51) | DRD3HRH4CYP2A6OPRM1 | |
| SCHEMBL21826130 | 0.68 | DRD3 (0.45) | DRD3NPC1RAB9ANCOA3CYP2A6 |
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 |