Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 10/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.65 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9530257 | 0.99 | OPRD1 (0.98) | OPRD1OPRK1UTS2RNPC1CYP1A2 | |
| SCHEMBL9529864 | 0.88 | OPRD1 (0.79) | OPRD1OPRK1UTS2RNPC1CYP1A2 | |
| Acetone SCHEMBL9530438 | 0.87 | OPRD1 (0.76) | OPRD1OPRK1UTS2RNPC1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9532662 | 0.86 | OPRD1 (0.76) | OPRD1OPRK1UTS2RNPC1CYP1A2 | |
| SCHEMBL10434837 | 0.83 | OPRD1 (0.83) | OPRD1OPRK1NPC1CYP1A2CYP3A4 | |
| SCHEMBL9699133 | 0.82 | OPRD1 (1.00) | OPRD1OPRK1NPC1 | |
| SCHEMBL6950655 | 0.82 | OPRD1 (1.00) | OPRD1OPRK1NPC1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9699115 | 0.82 | OPRD1 (0.98) | OPRD1OPRK1 | |
| SCHEMBL9529574 | 0.82 | OPRD1 (0.72) | OPRD1OPRK1NPC1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9354863 | 0.81 | OPRD1 (1.00) | OPRD1OPRK1NPC1CYP1A2CYP3A4 |
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 5 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 | claimed |
| 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 | claimed |
| 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 |