Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRN | P28799 | 1/20 | 0.43 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3491590 | 0.87 | KDM4C (0.49) | GAAALDH1A1MAPTKDM4CCCR1 | |
| SCHEMBL6446189 | 0.86 | CCR1 (0.53) | GAAALDH1A1MAPTKDM4CCCR1 | |
| SCHEMBL6446563 | 0.81 | HDAC8 (0.56) | GAAALDH1A1MAPTKDM4CNFKB1 | |
| SCHEMBL6313523 | 0.81 | HDAC8 (0.56) | GAAALDH1A1MAPTKDM4CNFKB1 | |
| SCHEMBL15459285 | 0.81 | HDAC8 (0.56) | GAAALDH1A1MAPTKDM4CNFKB1 | |
| SCHEMBL29985920 | 0.81 | KDM4C (0.47) | GAAALDH1A1MAPTKDM4CCCR1 | |
| SCHEMBL23153509 | 0.79 | CASP3 (0.48) | GAAALDH1A1MAPTKDM4CCCR1 | |
| SCHEMBL20875872 | 0.78 | KDM4C (0.49) | GAAALDH1A1MAPTKDM4CCCR1 | |
| SCHEMBL10051907 | 0.78 | ALDH1A1 (0.43) | GAAALDH1A1MAPTKDM4CCCR1 | |
| SCHEMBL6448536 | 0.77 | CCR1 (0.60) | GAAALDH1A1MAPTKDM4CCCR1 |
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-3688019-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | Centre National de la Recherche Scientifique (CNRS) (FR) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019068538-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2019-04-11 | — | — | WO | disclosed |