Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.49 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | FFAR2 | O15552 | 4/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | LDHB | P07195 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10978690 | 0.92 | TP53 (0.50) | TP53RECQLOPRL1SLC9A1FFAR2 | |
| Bicarbonate SCHEMBL10360630 | 0.92 | TP53 (0.53) | TP53RECQLOPRL1SLC9A1FFAR2 | |
| SCHEMBL1897406 | 0.89 | TP53 (0.57) | TP53RECQLOPRL1HTR2AHTR2C | |
| Charcoal, Activated SCHEMBL5897477 | 0.87 | TP53 (0.55) | TP53RECQLOPRL1HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL10978739 | 0.85 | RAB9A (0.53) | TP53RECQLOPRL1FFAR2HCAR2 | |
| SCHEMBL11832831 | 0.83 | TP53 (0.48) | TP53RECQLOPRL1FFAR2TRPV6 | |
| Cyanide SCHEMBL27463529 | 0.83 | TP53 (0.52) | TP53RECQLOPRL1HTR2AHTR2C | |
| SCHEMBL3789653 | 0.80 | TP53 (0.53) | TP53RECQLOPRL1FFAR2HTR2A | |
| SCHEMBL3784740 | 0.80 | TP53 (0.53) | TP53RECQLOPRL1FFAR2HTR2A | |
| SCHEMBL9232062 | 0.80 | TP53 (0.50) | TP53RECQLOPRL1FFAR2HCAR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |