Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of E968. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | GSR | P00390 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| E968 SCHEMBL994576 | 1.00 | CA5A (0.50) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| E968 SCHEMBL21493268 | 1.00 | CA5A (0.50) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Mannitol SCHEMBL29085543 | 0.88 | LMNA (0.61) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Mannitol SCHEMBL6690019 | 0.88 | LMNA (0.61) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Mannitol SCHEMBL1241895 | 0.88 | LMNA (0.61) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Sorbitol SCHEMBL11021828 | 0.88 | LMNA (0.61) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Sorbitol SCHEMBL9470802 | 0.88 | LMNA (0.61) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Adonitol SCHEMBL20481325 | 0.88 | LMNA (0.53) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Mannitol SCHEMBL10952803 | 0.88 | LMNA (0.61) | CA5ACA5BLMNAL3MBTL1TDP1 | |
| Mannitol SCHEMBL27402277 | 0.88 | LMNA (0.61) | CA5ACA5BLMNAL3MBTL1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024130106-A1 | OXIDIZED CARBON NANOPARTICLES FOR TREATING OXIDATIVE SKIN DISORDERS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2024-06-20 | — | — | WO | disclosed |
| CN-106998689-A | Pest control composition for agricultural and horticultural use and method of applying the same | 日本农药株式会社 | 2017-08-01 | — | — | CN | disclosed |
| US-20080175831-A1 | NEUROPROTECTION BY BLOOD FLOW STABILIZATION | DIGNITY HEALTH | 2008-07-24 | — | — | US | disclosed |
| WO-2005112872-A1 | PEROXIDE COMPOUNDS FOR THE PREVENTION AND TREATMENT OF SEXUAL DYSFUNCTION IN HUMANS | MIDWEST RESEARCH LABORATORIES, LLC (US) | 2005-12-01 | — | — | WO | disclosed |