Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 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 | 0.83 | HTR7 (0.38) | HTR2COPRD1OPRK1ALDH1A1HTR2A | |
| SCHEMBL9529309 | 0.83 | OPRD1 (0.46) | OPRD1OPRK1OPRM1 | |
| SCHEMBL9532270 | 0.83 | OPRL1 (0.41) | OPRD1OPRK1ALDH1A1OPRM1 | |
| Bromide SCHEMBL9529783 | 0.82 | OPRD1 (0.45) | OPRD1OPRK1OPRM1 | |
| Bromide SCHEMBL9532399 | 0.81 | OPRD1 (0.44) | OPRD1OPRK1OPRM1 | |
| SCHEMBL9529216 | 0.80 | CHRM4 (0.42) | HTR2CCHRNA7HTR2AOPRM1HTR2B | |
| SCHEMBL9529211 | 0.80 | SIGMAR1 (0.48) | CHRNA7 | |
| SCHEMBL9530051 | 0.79 | SIGMAR1 (0.50) | CHRNA7 | |
| Bromide SCHEMBL9531812 | 0.78 | ADRA2A (0.37) | — | |
| SCHEMBL9529191 | 0.78 | HTR2C (0.43) | HTR2COPRD1KDM4EALDH1A1POLB |
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 |