Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL614437 | 0.88 | HTR1A (0.46) | HTR1APARP1 | |
| SCHEMBL10690051 | 0.79 | PARP1 (0.46) | HTR1APARP1ADRA1A | |
| SCHEMBL3275506 | 0.78 | SSTR4 (0.40) | HTR1A | |
| Hydrochloric Acid SCHEMBL3278097 | 0.76 | SSTR4 (0.40) | HTR1A | |
| SCHEMBL23323106 | 0.75 | CHRM5 (0.44) | HTR1APARP1 | |
| SCHEMBL6677547 | 0.73 | HTR2C (0.50) | PARP1 | |
| SCHEMBL6677544 | 0.73 | HTR2C (0.50) | PARP1 | |
| SCHEMBL25321498 | 0.72 | HTR1A (0.38) | HTR1APARP1 | |
| SCHEMBL25321493 | 0.72 | HTR1A (0.38) | HTR1APARP1 | |
| SCHEMBL3275394 | 0.72 | HTR2C (0.42) | HTR1A |
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 |