Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STING1 | Q86WV6 | 2/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL14740816 | 0.85 | HCAR2 (0.40) | HCAR2RAB9AALDH1A1TDP1NPC1 | |
| SCHEMBL14740817 | 0.85 | POLB (0.45) | HCAR2RAB9AALDH1A1GAAKDM4E | |
| SCHEMBL14740849 | 0.83 | AAK1 (0.39) | STING1GPR35 | |
| SCHEMBL17336575 | 0.82 | RAB9A (0.43) | RAB9AALDH1A1GAAMAPK1KDM4E | |
| SCHEMBL14740843 | 0.78 | KMT2A (0.53) | RAB9AALDH1A1GAAKDM4ENPC1 | |
| SCHEMBL14053110 | 0.76 | ALDH1A1 (0.47) | RAB9AALDH1A1GAAMAPK1KDM4E | |
| SCHEMBL14740844 | 0.71 | MEN1 (0.43) | HCAR2TDP1NPC1POLBMAPT | |
| SCHEMBL14740851 | 0.71 | MAPT (0.37) | RAB9AALDH1A1GAAMAPK1KDM4E | |
| SCHEMBL14740837 | 0.70 | CYP17A1 (0.39) | RAB9AALDH1A1NPC1POLBMEN1 | |
| SCHEMBL14740770 | 0.69 | KCNQ4 (0.44) | ALDH1A1MAPTMEN1KMT2AL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2751095-A2 | NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF | Sanford-Burnham Medical Research Institute (US) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013033246-A2 | NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF | BRAINCELLS, INC. (US) | 2013-03-07 | — | — | WO | disclosed |