Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | HTR2C | P28335 | 4/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL9528729 | 0.89 | HTR2A (0.44) | HTR2AHTR2CHTR2BOPRM1OPRD1 | |
| Bromide SCHEMBL9529223 | 0.85 | KDM1A (0.45) | OPRM1KDM1ABCHE | |
| SCHEMBL9529368 | 0.80 | BCHE (0.48) | HTR2COPRM1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3453173 | 0.80 | OPRM1 (0.56) | OPRM1ALDH1A1 | |
| SCHEMBL329846 | 0.79 | BCHE (0.49) | HTR2COPRM1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL329828 | 0.78 | OPRM1 (0.57) | OPRM1ALDH1A1 | |
| SCHEMBL330238 | 0.78 | OPRM1 (0.57) | OPRM1ALDH1A1 | |
| SCHEMBL329925 | 0.78 | OPRM1 (0.57) | OPRM1ALDH1A1 | |
| SCHEMBL9529191 | 0.78 | HTR2C (0.43) | HTR2CHTR2BOPRM1OPRD1ALDH1A1 | |
| SCHEMBL9530729 | 0.75 | HTR2C (0.43) | HTR2AHTR2CHTR2BOPRM1OPRD1 |
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 |