Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.47 |
| ▸ | CES1 | P23141 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL14993270 | 0.87 | TRPV1 (0.62) | ALDH1A1TRPV1 | |
| SCHEMBL14993988 | 0.87 | TRPV1 (0.62) | ALDH1A1TRPV1 | |
| SCHEMBL14993271 | 0.87 | TRPV1 (0.62) | ALDH1A1TRPV1 | |
| SCHEMBL6561525 | 0.83 | CES2 (0.44) | CES2CES1ALDH1A1MAPTTRPV1 | |
| Benzoic Acid 3-Methyl-2-Butenyl Ester SCHEMBL873002 | 0.82 | TRPV1 (0.55) | ALDH1A1MMP1MMP2MMP9MMP12 | |
| SCHEMBL9368108 | 0.81 | KMT2A (0.44) | CES2CES1ALDH1A1MAPTMMP1 | |
| SCHEMBL24690571 | 0.80 | CES2 (0.48) | CES2CES1ALDH1A1MAPTAKT1 | |
| SCHEMBL2118322 | 0.80 | MMP1 (0.40) | CES2CES1ALDH1A1MAPTMMP1 | |
| Benzoic Acid SCHEMBL28235617 | 0.79 | DAO (0.48) | CES2CES1ALDH1A1MMP1MMP2 | |
| SCHEMBL1149077 | 0.79 | CYP3A4 (0.55) | CES2CES1ALDH1A1MAPTAKT1 |
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-1082287-B1 | SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS | FIRMENICH & CIE (CH) | 2004-03-17 | — | — | EP | claimed |