Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.49 |
| ▸ | HTR2A | P28223 | 8/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PRCP | P42785 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9529642 | 0.81 | DRD2 (0.42) | PRCPADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9529706 | 0.80 | HSD11B1 (0.47) | SLC6A4ADRA2AADRA1DADRA1AADRA1B | |
| SCHEMBL330217 | 0.75 | PRCP (0.62) | HTR2AHRH1PRCPSLC22A1 | |
| SCHEMBL1010578 | 0.74 | HTR2C (0.61) | HTR2CHTR2AHTR2BPNMT | |
| SCHEMBL9530729 | 0.74 | HTR2C (0.43) | HTR2CHTR2AMAPTHTR2B | |
| SCHEMBL9529226 | 0.73 | HTR2A (0.49) | HTR2CHTR2AHRH1PRCPHTR2B | |
| SCHEMBL9529244 | 0.71 | HTR2A (0.50) | HTR2CHTR2AHRH1MAPTPRCP | |
| SCHEMBL31568975 | 0.71 | SLC6A4 (0.44) | HTR2CHTR2AHRH1PRCPSLC22A1 | |
| Hydrochloric Acid SCHEMBL31739162 | 0.70 | ALDH1A1 (0.40) | HTR2CHTR2AHRH1MAPTHTR2B | |
| Hydrochloric Acid SCHEMBL31739176 | 0.70 | SLC6A4 (0.33) | SLC6A2SLC6A4SLC6A3ADRA2AADRA2B |
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 |