Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 6/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8546179 | 0.80 | MAOA (0.41) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL8747262 | 0.76 | MAPT (0.45) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL8547555 | 0.76 | KDM4E (0.42) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL8546617 | 0.76 | MAOA (0.41) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL7416631 | 0.68 | MAOA (0.43) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL7419565 | 0.68 | PFKFB3 (0.38) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL989118 | 0.67 | HSD11B1 (0.41) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL30439351 | 0.66 | ALDH1A1 (0.65) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL29010990 | 0.66 | ALDH1A1 (0.65) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL990202 | 0.66 | HSD11B1 (0.47) | MAOAKDM4EALDH1A1MAPTGAA |
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 |