Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 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 | |
|---|---|---|---|---|
| SCHEMBL11625232 | 0.89 | DRD3 (0.74) | DRD3RAB9ANPC1NCOA3CYP2A6 | |
| Hydrochloric Acid SCHEMBL11623731 | 0.88 | DRD3 (0.73) | DRD3RAB9ANPC1NCOA3CYP2A6 | |
| SCHEMBL11625386 | 0.87 | DRD3 (0.68) | DRD3RAB9ANPC1NCOA3ADAM17 | |
| SCHEMBL11624765 | 0.83 | DRD3 (0.81) | DRD3NCOA3CYP3A4TSHRCYP2C19 | |
| SCHEMBL11627320 | 0.82 | DRD3 (0.64) | DRD3RAB9ANPC1NCOA3CYP2A6 | |
| SCHEMBL11623961 | 0.76 | CYP3A4 (0.43) | DRD3ADAM17CYP3A4TSHRCYP2C19 | |
| SCHEMBL11261049 | 0.69 | TSHR (0.54) | DRD3RAB9ANPC1NCOA3CYP3A4 | |
| SCHEMBL21826130 | 0.66 | DRD3 (0.45) | DRD3RAB9ANPC1NCOA3CYP3A4 | |
| SCHEMBL31125381 | 0.66 | DRD3 (0.45) | DRD3RAB9ANPC1NCOA3CYP3A4 | |
| SCHEMBL11626663 | 0.63 | HRH4 (0.52) | DRD3CYP3A4TSHRCYP2C19CYP2A6 |
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 |