Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | DRD1 | P21728 | 8/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.39 |
| ▸ | DRD5 | P21918 | 6/20 | 0.39 |
| ▸ | DRD3 | P35462 | 5/20 | 0.39 |
| ▸ | DRD4 | P21917 | 5/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7529635 | 0.88 | ACHE (0.35) | SIGMAR1OPRM1OPRK1 | |
| SCHEMBL7419935 | 0.85 | DRD1 (0.42) | SIGMAR1DRD1DRD2DRD5DRD3 | |
| SCHEMBL8747256 | 0.81 | DRD1 (0.41) | SIGMAR1DRD1DRD2DRD5DRD3 | |
| Oxalic Acid SCHEMBL7529629 | 0.81 | DRD1 (0.41) | SIGMAR1DRD1DRD2GRIN2DGRIN3B | |
| SCHEMBL7417759 | 0.79 | MAOA (0.40) | DRD1DRD2DRD4CYP2D6CYP3A4 | |
| SCHEMBL8747331 | 0.76 | DRD1 (0.44) | SIGMAR1DRD1DRD2DRD5DRD3 | |
| Oxalic Acid SCHEMBL7425176 | 0.74 | HTR2A (0.42) | GRIN1GRIN2ASLC22A1CYP2D6TSHR | |
| SCHEMBL7419696 | 0.74 | DRD1 (0.39) | DRD1DRD2DRD3 | |
| SCHEMBL1860675 | 0.73 | HSD11B1 (0.37) | DRD2DRD3DRD4 | |
| SCHEMBL8020258 | 0.72 | GHSR (0.39) | DRD2DRD3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5807868-A | ANALGESICS; PSYCHOLOGICAL DISORDES; PARKINSON*S DIESASE;COGNITION ACTIVATORS; DRUG DEPENDENCE; DYSKINESIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |
| US-5804586-A | ANALGESICS, PSYCHOLOGICAL DISORDERS | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-09-08 | — | — | US | disclosed |
| EP-0707570-B1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| EP-0707570-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995000489-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |