Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | HTR5A | P47898 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10518205 | 0.83 | HSD11B1 (0.52) | HSD11B1ADRA2AADRA1AADRA1DADRA1B | |
| SCHEMBL9529924 | 0.80 | HTR2C (0.49) | ADRA2AADRA1AADRA1DADRA1BSLC6A4 | |
| Bromide SCHEMBL9529642 | 0.79 | DRD2 (0.42) | ADRA2AADRA1AADRA1DADRA1BDRD2 | |
| SCHEMBL9529211 | 0.77 | SIGMAR1 (0.48) | HSD11B1HTR1A | |
| SCHEMBL9530051 | 0.76 | SIGMAR1 (0.50) | HSD11B1ADRA2AHTR1ACHRM2CHRM1 | |
| SCHEMBL30878610 | 0.76 | HSD11B1 (0.54) | HSD11B1ADRA2AADRA1AADRA1DADRA1B | |
| SCHEMBL1011305 | 0.76 | HSD11B1 (0.54) | HSD11B1ADRA2AADRA1AADRA1DADRA1B | |
| SCHEMBL28295410 | 0.75 | HSD11B1 (0.52) | HSD11B1ADRA2AADRA1AADRA1DADRA1B | |
| SCHEMBL330217 | 0.73 | PRCP (0.62) | OPRM1 | |
| SCHEMBL329884 | 0.72 | HTR2C (0.51) | KMT2AOPRM1 |
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 |