Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL2116450 | 0.87 | CNR2 (0.37) | ALDH1A1CNR2CNR1NPSR1GAA | |
| SCHEMBL29896410 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CNR2CNR1NPSR1GAA | |
| SCHEMBL1466280 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CNR2CNR1NPSR1GAA | |
| SCHEMBL10806776 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CNR2CNR1NPSR1GAA | |
| SCHEMBL538414 | 0.81 | TDO2 (0.44) | ALDH1A1CNR2CNR1NPSR1GAA | |
| SCHEMBL20150583 | 0.80 | MEN1 (0.57) | ALDH1A1NPSR1GAALMNAHTT | |
| SCHEMBL537876 | 0.80 | KDM4E (0.42) | ALDH1A1CNR2NPSR1LMNAKDM4E | |
| SCHEMBL1467162 | 0.80 | GABRA1 (0.48) | ALDH1A1CNR2GAALMNAHTT | |
| SCHEMBL20150523 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CNR2NPSR1GAALMNA | |
| Hydrochloric Acid SCHEMBL10999689 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CNR2CNR1NPSR1GAA |
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-2627655-B1 | FUSED 3-OXO-PYRAZOLO[4,3-c]PYRIDINE COMPOUNDS AS GABAA MODULATORS | DART NEUROSCIENCE CAYMAN LTD (KY) | 2015-09-16 | — | — | EP | disclosed |
| US-9012470-B2 | Therapeutic 5,6,5-tricyclic analogs | DART NEUROSCIENCE (CAYMAN) LTD. (KY) | 2015-04-21 | — | — | US | disclosed |
| EP-2627655-A2 | THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS | Dart NeuroScience (Cayman) Ltd (KY) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012051213-A2 | THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS | HELICON THERAPEUTICS, INC. (US) | 2012-04-19 | — | — | WO | disclosed |