Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | STS | P08842 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL8747274 | 0.97 | SIRT6 (0.38) | SIRT6DRD1DRD2HIF1ASTS | |
| SCHEMBL8747006 | 0.85 | MAOA (0.50) | DRD1DRD2HIF1AMAOAMAPK1 | |
| SCHEMBL8747278 | 0.85 | POLB (0.39) | SIRT6 | |
| Bromide SCHEMBL8747268 | 0.84 | KDM4E (0.49) | DRD1DRD2HIF1AMAOAMAPK1 | |
| SCHEMBL8747355 | 0.83 | MAOA (0.50) | DRD1DRD2HIF1AMAOAMAPK1 | |
| SCHEMBL8747054 | 0.82 | MAOA (0.49) | DRD1DRD2HIF1AMAOAMAPK1 | |
| SCHEMBL8747056 | 0.81 | DRD1 (0.60) | DRD1DRD2MAPK1THPOHSD17B10 | |
| SCHEMBL8747233 | 0.81 | DRD1 (0.52) | DRD1DRD2MAPK1HSD17B10 | |
| SCHEMBL8747186 | 0.81 | DRD1 (0.43) | DRD1DRD2HIF1AMAOAMAPK1 | |
| SCHEMBL8747280 | 0.81 | MAOA (0.52) | DRD1DRD2HIF1AMAOAMAPK1 |
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-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 |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |