Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 9/20 | 0.44 |
| ▸ | HTR2C | P28335 | 8/20 | 0.44 |
| ▸ | HTR2B | P41595 | 6/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9529130 | 0.89 | HTR2A (0.43) | HTR2AHTR2CHTR2BOPRK1OPRM1 | |
| SCHEMBL10514380 | 0.83 | DRD2 (0.46) | HTR2AHTR2CADRB1OPRM1GAA | |
| Bromide SCHEMBL9529787 | 0.82 | DRD2 (0.45) | HTR2AHTR2CADRB1OPRM1GAA | |
| SCHEMBL3453137 | 0.80 | HTR2A (0.49) | HTR2AHTR2CHTR2BGRIN2DGRIN3B | |
| SCHEMBL3453173 | 0.80 | OPRM1 (0.56) | PRCPOPRM1GAA | |
| SCHEMBL329925 | 0.78 | OPRM1 (0.57) | PRCPOPRM1GAA | |
| SCHEMBL330238 | 0.78 | OPRM1 (0.57) | PRCPOPRM1GAA | |
| SCHEMBL329828 | 0.78 | OPRM1 (0.57) | PRCPOPRM1GAA | |
| SCHEMBL10434973 | 0.78 | TBXA2R (0.49) | HTR1AADRA2AADRA2BADRA2CGAA | |
| Bromide SCHEMBL9529223 | 0.77 | KDM1A (0.45) | ADRB1OPRM1GAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0330360-B1 | 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists | SMITHKLINE BEECHAM FARMA (IT) | 1993-12-01 | — | — | EP | disclosed |
| US-4954509-A | Isoquinoline derivatives and their use as analgesics | DR. LO. ZAMBELETTI S.P.A. (IT) | 1990-09-04 | — | — | US | disclosed |
| EP-0330360-A1 | 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists | SmithKline Beecham Farmaceutici S.p.A. (IT) | 1989-08-30 | — | — | EP | disclosed |