Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL329846 | 0.99 | BCHE (0.49) | BCHEACHEKMT2AHTR2CCA1 | |
| SCHEMBL3453137 | 0.90 | HTR2A (0.49) | BCHEACHEKMT2AHTR2CGRIN2D | |
| SCHEMBL330122 | 0.89 | BCHE (0.51) | BCHEACHEKMT2AHTR2CCA1 | |
| SCHEMBL3452409 | 0.82 | BCHE (0.58) | BCHEACHEKMT2AGRIN2DGRIN3B | |
| SCHEMBL9529130 | 0.80 | HTR2A (0.43) | BCHEACHEHTR2CGRIN2DGRIN3B | |
| SCHEMBL25316370 | 0.80 | CA1 (0.54) | KMT2AHTR2CCA1CA2CA7 | |
| SCHEMBL329885 | 0.80 | KMT2A (0.60) | KMT2AHTR2CCA1CA2CA7 | |
| SCHEMBL17732736 | 0.80 | KMT2A (0.60) | KMT2AHTR2CCA1CA2CA7 | |
| Bromide SCHEMBL9529223 | 0.79 | KDM1A (0.45) | BCHEKMT2ACA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL330054 | 0.79 | KMT2A (0.59) | KMT2AHTR2CCA1CA2CA7 |
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 4 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 |
| EP-0330469-A2 | Tetrahydroisoquinoline derivatives | GLAXO GROUP LIMITED (GB) | 1989-08-30 | — | — | EP | disclosed |