Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADA | P00813 | 4/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL15214187 | 1.00 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDCYP3A4CYP2D6 | |
| SCHEMBL13394059 | 0.94 | CYP3A4 (0.38) | ALDH1A1KDM4ECYP3A4CYP2D6ADORA2A | |
| SCHEMBL13393953 | 0.90 | CYP3A4 (0.35) | ALDH1A1KDM4ECYP3A4CYP2D6ADORA2A | |
| SCHEMBL12112262 | 0.87 | ADORA2A (0.49) | ALDH1A1KDM4EHPGDCYP2D6ADORA2A | |
| SCHEMBL15214197 | 0.87 | ADORA2A (0.49) | ALDH1A1KDM4EHPGDCYP2D6ADORA2A | |
| SCHEMBL12112265 | 0.87 | ADORA2A (0.49) | ALDH1A1KDM4EHPGDCYP2D6ADORA2A | |
| SCHEMBL15214199 | 0.87 | ADORA2A (0.49) | ALDH1A1KDM4EHPGDCYP2D6ADORA2A | |
| SCHEMBL12112263 | 0.87 | ADORA2A (0.49) | ALDH1A1KDM4EHPGDCYP2D6ADORA2A | |
| SCHEMBL12112261 | 0.85 | ADORA2A (0.52) | ALDH1A1KDM4EHPGDCYP2D6ADORA2A | |
| SCHEMBL12112260 | 0.83 | ADORA2A (0.54) | ALDH1A1KDM4EHPGDCYP2D6ADORA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518901-B2 | Fused diimidazodiazepine compounds and methods of use and manufacture thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-08-27 | — | — | US | disclosed |