Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Avobenzone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.71 |
| ▸ | APEX1 | P27695 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | RECQL | P46063 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 7/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Avobenzone SCHEMBL5680371 | 0.87 | TDP1 (0.88) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| Avobenzone SCHEMBL4245068 | 0.87 | ALDH1A1 (0.69) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| Avobenzone SCHEMBL28576597 | 0.86 | ALDH1A1 (0.81) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| Avobenzone SCHEMBL15650 | 0.84 | ALDH1A1 (1.00) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| Avobenzone SCHEMBL1768910 | 0.84 | ALDH1A1 (1.00) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| Avobenzone SCHEMBL28842232 | 0.83 | ALDH1A1 (0.81) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| SCHEMBL29664124 | 0.83 | LMNA (0.66) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| SCHEMBL312917 | 0.83 | NPC1 (1.00) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| SCHEMBL903310 | 0.83 | LMNA (0.66) | LMNAALDH1A1HSD17B10ALOX15APEX1 | |
| Avobenzone SCHEMBL16506197 | 0.83 | ALDH1A1 (0.97) | LMNAALDH1A1HSD17B10ALOX15APEX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1204403-A4 | IMPROVED COLD-MIX WATER-IN-OIL EMULSIONS COMPRISING QUATERNARY AMMONIUM COMPOUNDS AND PROCESS FOR PRODUCING SAME | STEPAN CO (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1204403-A1 | IMPROVED COLD-MIX WATER-IN-OIL EMULSIONS COMPRISING QUATERNARY AMMONIUM COMPOUNDS AND PROCESS FOR PRODUCING SAME | STEPAN COMPANY (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001008648-A1 | IMPROVED COLD-MIX WATER-IN-OIL EMULSIONS COMPRISING QUATERNARY AMMONIUM COMPOUNDS AND PROCESS FOR PRODUCING SAME | STEPAN COMPANY (US) | 2001-02-08 | — | — | WO | disclosed |