Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10627836 | 0.93 | SLC6A2 (0.43) | CHRNA7SLC6A3SLC6A2SLC6A4OPRM1 | |
| SCHEMBL350930 | 0.89 | SLC18A3 (0.44) | OPRM1OPRD1SLC18A3SIGMAR1GRIN2B | |
| SCHEMBL10632281 | 0.87 | SLC6A2 (0.42) | SLC6A3SLC6A2SLC6A4SLC18A3SIGMAR1 | |
| SCHEMBL10630089 | 0.82 | SLC18A3 (0.43) | SLC6A3SLC6A2SLC6A4SLC18A3SIGMAR1 | |
| SCHEMBL10626688 | 0.82 | GRIN2B (0.35) | OPRM1OPRD1SLC18A3SIGMAR1HTR7 | |
| SCHEMBL10632309 | 0.81 | SLC18A3 (0.43) | SLC18A3SIGMAR1TSHRADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL10632236 | 0.81 | SLC18A3 (0.43) | SLC6A3SLC6A2SLC6A4SLC18A3SIGMAR1 | |
| SCHEMBL10627896 | 0.81 | KDM4E (0.39) | SLC6A3SLC6A2SLC6A4OPRM1SLC18A3 | |
| SCHEMBL10627969 | 0.80 | GRIN2B (0.50) | SLC6A2SLC6A4OPRM1OPRD1DRD2 | |
| SCHEMBL10627784 | 0.78 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC18A3GRIN2BKDM4E |
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-4772705-A | Processes for the preparation of trans 1,3,4,6,7,11b-hexahydro-7-aryl-2H-pyrazinol[2,1-a]isoquinolines | PENNWALT CORPORATION (US) | 1988-09-20 | — | — | US | disclosed |