Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.38 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.38 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7419696 | 0.85 | DRD1 (0.39) | MAOADRD2DRD1 | |
| SCHEMBL8747075 | 0.80 | MAOA (0.43) | MAOADRD2DRD1DRD4KCNN2 | |
| SCHEMBL7474566 | 0.79 | SIGMAR1 (0.44) | DRD2DRD1DRD4CYP2D6CYP3A4 | |
| SCHEMBL7423986 | 0.79 | PKM (0.45) | MAOACYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL7417594 | 0.77 | MAOA (0.41) | MAOADRD2DRD1DRD4KCNN2 | |
| SCHEMBL7419995 | 0.77 | MAOA (0.41) | MAOADRD2DRD1DRD4KCNN2 | |
| SCHEMBL7411687 | 0.77 | MAOA (0.40) | MAOADRD2DRD1DRD4KCNN2 | |
| SCHEMBL8971800 | 0.76 | MAOA (0.42) | MAOADRD1KCNN2KCNN3KCNN1 | |
| SCHEMBL7419935 | 0.74 | DRD1 (0.42) | DRD2DRD1DRD4CYP2D6 | |
| SCHEMBL7428084 | 0.73 | MAOA (0.39) | MAOAKCNN2KCNN3KCNN1KDM4E |
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 |