Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD5 | P21918 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747012 | 0.90 | DRD1 (0.50) | DRD1DRD2DRD5MAOABCHE | |
| SCHEMBL8747029 | 0.88 | DRD1 (0.50) | DRD1DRD2DRD5MAOABCHE | |
| SCHEMBL8747074 | 0.87 | DRD1 (0.49) | DRD1DRD2DRD5MAOABCHE | |
| SCHEMBL8747191 | 0.85 | DRD1 (0.56) | DRD1DRD2DRD5MAOADHCR7 | |
| SCHEMBL8747014 | 0.83 | DRD2 (0.60) | DRD1DRD2MAOAKCNH2 | |
| SCHEMBL8747090 | 0.83 | DRD1 (0.49) | DRD1DRD2DRD5MAOABCHE | |
| SCHEMBL8747084 | 0.83 | MAOA (0.45) | DRD1DRD2DRD5MAOAKCNH2 | |
| Oxalic Acid SCHEMBL8747351 | 0.81 | DRD1 (0.52) | DRD1DRD2DRD5MAOAKCNH2 | |
| SCHEMBL8747125 | 0.80 | DRD1 (0.55) | DRD1DRD2DRD5MAOATP53 | |
| SCHEMBL8747152 | 0.80 | DRD1 (0.55) | DRD1DRD2DRD5MAOABCHE |
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 |