Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747134 | 0.90 | CHRNA7 (0.50) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747218 | 0.88 | CHRNA7 (0.50) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747094 | 0.88 | CHRNA7 (0.50) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747178 | 0.86 | CHRNA7 (0.48) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747181 | 0.84 | CHRNA7 (0.48) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747096 | 0.83 | CHRNA7 (0.47) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747089 | 0.81 | DRD1 (0.51) | — | |
| SCHEMBL14740295 | 0.81 | MAOA (0.67) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| Hydrochloric Acid SCHEMBL8747212 | 0.80 | MAOA (0.52) | — | |
| SCHEMBL8747267 | 0.79 | CHRNA7 (0.46) | CHRNA7HTR2AHTR2CHTR2BHTR1A |
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 |