Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL116654 | 0.84 | CES1 (0.41) | ALDH1A1CES2CES1 | |
| SCHEMBL2151557 | 0.84 | CES1 (0.41) | ALDH1A1CES2CES1 | |
| Hydrochloric Acid SCHEMBL7043539 | 0.82 | CES1 (0.39) | ALDH1A1CES2CES1 | |
| Hydrochloric Acid SCHEMBL8900380 | 0.82 | CES1 (0.39) | ALDH1A1CES2CES1 | |
| SCHEMBL28102469 | 0.80 | — | — | |
| SCHEMBL5664721 | 0.80 | — | — | |
| SCHEMBL27806927 | 0.76 | CA1 (0.33) | CA2 | |
| SCHEMBL15846310 | 0.76 | ALDH1A1 (0.32) | ALDH1A1CA12CA2CA7CA9 | |
| SCHEMBL28062299 | 0.74 | ALDH1A1 (0.31) | ALDH1A1CES2CES1 | |
| SCHEMBL3360901 | 0.72 | CTSD (0.38) | ALDH1A1CES2CES1 |
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-2282716-A2 | DELIVERY OF HYDROPHOBIC BENEFIT AGENTS FROM BODYWASHES AND THE LIKE ONTO A KERATINOUS SUBSTRATE | BASF SE (DE) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009130144-A2 | DELIVERY OF HYDROPHOBIC BENEFIT AGENTS FROM BODYWASHES AND THE LIKE ONTO A KERATINOUS SUBSTRATE | BASF SE (DE) | 2009-10-29 | — | — | WO | disclosed |