Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8417025 | 1.00 | ESR1 (0.46) | ESR1HSD17B3CA12CA1CA2 | |
| SCHEMBL9858553 | 1.00 | ESR1 (0.46) | ESR1HSD17B3CA12CA1CA2 | |
| SCHEMBL27938393 | 0.89 | ALDH1A1 (0.45) | ESR1HSD17B3CA12CA1CA2 | |
| SCHEMBL109695 | 0.84 | KDM4E (0.59) | — | |
| SCHEMBL22655275 | 0.83 | HSD17B3 (0.51) | ESR1HSD17B3 | |
| SCHEMBL9016067 | 0.83 | HSD17B3 (0.51) | ESR1HSD17B3 | |
| SCHEMBL28183676 | 0.81 | RARB (0.43) | HSD17B3MGLL | |
| SCHEMBL28022827 | 0.81 | RARB (0.43) | HSD17B3MGLL | |
| SCHEMBL31522758 | 0.81 | HSD17B3 (0.63) | ESR1HSD17B3CA12CA1CA2 | |
| SCHEMBL28374530 | 0.81 | HSD17B3 (0.63) | ESR1HSD17B3CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0317846-B1 | PHARMACEUTICAL AND COSMETICAL COMPOSITIONS BASED ON BENZOYL PEROXIDE AND LIPOPHILIC QUATERNARY AMMONIUM SALICYLATES AND THEIR USE, IN PARTICULAR IN TREATING ACNE | L'OREAL (FR) | 1991-10-16 | — | — | EP | claimed |
| EP-0317846-A1 | Pharmaceutical and cosmetical compositions based on benzoyl peroxide and lipophilic quaternary ammonium salicylates and their use, in particular in treating acne | L'OREAL (FR) | 1989-05-31 | — | — | EP | claimed |
| EP-0317846-B1 | PHARMACEUTICAL AND COSMETICAL COMPOSITIONS BASED ON BENZOYL PEROXIDE AND LIPOPHILIC QUATERNARY AMMONIUM SALICYLATES AND THEIR USE, IN PARTICULAR IN TREATING ACNE | L'OREAL (FR) | 1991-10-16 | — | — | EP | disclosed |
| EP-0317846-A1 | Pharmaceutical and cosmetical compositions based on benzoyl peroxide and lipophilic quaternary ammonium salicylates and their use, in particular in treating acne | L'OREAL (FR) | 1989-05-31 | — | — | EP | disclosed |