Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ATF4 | P18848 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24323107 | 0.89 | NPC1 (0.52) | NPC1KDM4EPPARDRAB9AALDH1A1 | |
| SCHEMBL24324540 | 0.87 | NPC1 (0.58) | NPC1KDM4EL3MBTL1ALDH1A1MAPT | |
| SCHEMBL24322995 | 0.86 | PPARD (0.58) | NPC1KDM4EPPARDALDH1A1MAPT | |
| SCHEMBL24324190 | 0.79 | ATF4 (0.52) | NPC1KDM4EALDH1A1LMNAGAA | |
| SCHEMBL24323244 | 0.75 | ALDH1A1 (0.47) | NPC1KDM4EL3MBTL1RAB9AALDH1A1 | |
| SCHEMBL19577397 | 0.73 | ATF4 (0.62) | NPC1KDM4EL3MBTL1ALDH1A1MAPT | |
| SCHEMBL19569584 | 0.73 | ALDH1A1 (0.52) | GRIN1GRIN2BKDM4EALDH1A1LMNA | |
| SCHEMBL19577394 | 0.72 | ATF4 (0.57) | NPC1GRIN1GRIN2BALDH1A1MAPT | |
| SCHEMBL24323517 | 0.71 | PPARD (0.59) | NPC1KDM4EPPARDMAPTGAA | |
| SCHEMBL24116795 | 0.70 | ATF4 (0.49) | GRIN1GRIN2BPPARDATF4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3452453-B1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | CALICO LIFE SCIENCES LLC (US) | 2022-04-13 | — | — | EP | disclosed |