Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28287317 | 0.85 | SMN1; SMN2 (0.41) | GAAALDH1A1MAPTKDM4EALOX15 | |
| SCHEMBL28287326 | 0.82 | CYP1A2 (0.45) | ALDH1A1KDM4EALOX15SMN1; SMN2LMNA | |
| SCHEMBL28736309 | 0.77 | GRIN1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29636068 | 0.77 | GRIN1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL26215698 | 0.75 | GRIA2 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28562357 | 0.73 | CACNA2D1 (0.48) | GAAALDH1A1MAPTKDM4ECMA1 | |
| SCHEMBL19072749 | 0.70 | PDE10A (0.41) | GAAALDH1A1MAPTKDM4EALOX15 | |
| SCHEMBL7028885 | 0.68 | GAA (0.42) | GAASIGMAR1ALDH1A1MAPTKDM4E | |
| SCHEMBL28195658 | 0.68 | HDAC1 (0.58) | ALDH1A1ALOX15SMN1; SMN2LMNACYP11B1 | |
| SCHEMBL28946779 | 0.67 | ALDH1A1 (0.52) | GAASIGMAR1ALDH1A1MAPTKDM4E |
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-3768260-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019182925-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | GENENTECH, INC. (US) | 2019-09-26 | — | — | WO | disclosed |