Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.38 |
| ▸ | GNRHR | P30968 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9527933 | 0.86 | HTR7 (0.38) | OPRL1OPRM1GNRHRALDH1A1ABCB1 | |
| SCHEMBL9529309 | 0.83 | OPRD1 (0.46) | OPRM1OPRD1OPRK1 | |
| SCHEMBL9530729 | 0.83 | HTR2C (0.43) | OPRM1ALDH1A1OPRD1OPRK1 | |
| SCHEMBL9529211 | 0.83 | SIGMAR1 (0.48) | — | |
| SCHEMBL9529216 | 0.83 | CHRM4 (0.42) | OPRM1ABCB1PRCPPARP1 | |
| Bromide SCHEMBL9529783 | 0.82 | OPRD1 (0.45) | OPRM1OPRD1OPRK1 | |
| SCHEMBL9530051 | 0.82 | SIGMAR1 (0.50) | KCNH2ABCB1ADRA2AADRA2BADRA2C | |
| Bromide SCHEMBL9532399 | 0.81 | OPRD1 (0.44) | OPRM1OPRD1OPRK1 | |
| Bromide SCHEMBL9531812 | 0.78 | ADRA2A (0.37) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Acetic Acid SCHEMBL9530466 | 0.77 | MAPKAPK2 (0.46) | OPRM1 |
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 2 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 |