Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.36 |
| ▸ | MEN1 | O00255 | 6/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL14740754 | 0.76 | ALDH1A1 (0.37) | ALDH1A1GAATDP1KDM4ENPC1 | |
| SCHEMBL14053110 | 0.71 | ALDH1A1 (0.47) | ALDH1A1GAATDP1KDM4ENPC1 | |
| SCHEMBL14740818 | 0.66 | STING1 (0.42) | ALDH1A1GAATDP1KDM4ENPC1 | |
| SCHEMBL14740843 | 0.64 | KMT2A (0.53) | ALDH1A1GAAKDM4ENPC1KMT2A | |
| SCHEMBL2491853 | 0.64 | LMNA (0.66) | ALDH1A1GAATDP1KDM4ENPC1 | |
| SCHEMBL17336575 | 0.64 | RAB9A (0.43) | ALDH1A1GAATDP1KDM4ENPC1 | |
| SCHEMBL15559293 | 0.61 | AAK1 (0.55) | ALDH1A1KDM4ENPC1POLBAAK1 | |
| SCHEMBL17498094 | 0.61 | NPC1 (0.49) | ALDH1A1GAANPC1KMT2AMEN1 | |
| SCHEMBL933257 | 0.60 | — | — | |
| SCHEMBL12479615 | 0.60 | MAPK1 (0.56) | ALDH1A1GAATDP1KDM4EKMT2A |
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 |