Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3056241 | 1.00 | TDP1 (0.35) | TDP1ALDH1A1TSHRTP53CA2 | |
| SCHEMBL2636365 | 1.00 | TDP1 (0.35) | TDP1ALDH1A1TSHRTP53CA2 | |
| SCHEMBL27205083 | 0.84 | ALDH1A1 (0.34) | TDP1ALDH1A1TP53CA2MAPK1 | |
| SCHEMBL12646465 | 0.80 | ALDH1A1 (0.33) | TDP1ALDH1A1TSHR | |
| SCHEMBL20444199 | 0.80 | HMGCR (0.41) | TDP1TSHRCHRM1ADRA1A | |
| SCHEMBL13675131 | 0.78 | ALDH1A1 (0.32) | TDP1ALDH1A1TSHR | |
| SCHEMBL14045275 | 0.78 | ALDH1A1 (0.32) | TDP1ALDH1A1TSHR | |
| SCHEMBL2310819 | 0.75 | TP53 (0.38) | TDP1ALDH1A1TSHRTP53 | |
| SCHEMBL4311782 | 0.75 | TP53 (0.38) | TDP1ALDH1A1TSHRTP53 | |
| SCHEMBL6665862 | 0.75 | TP53 (0.38) | TDP1ALDH1A1TSHRTP53 |
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-1069176-B1 | Aliphatic esters and their use as perfume ingredients | FIRMENICH & CIE (CH) | 2004-09-08 | — | — | EP | disclosed |
| US-6509312-B1 | To impart a very natural fruity note | FIRMENICH SA (CH) | 2003-01-21 | — | — | US | disclosed |
| JP-2001055599-A | METHOD FOR IMPARTING, IMPROVING, REINFORCING OR CHANGING PERFUME CHARACTERISTICS, PERFUME COMPOSITION, PERFUMED ARTICLE AND NOVEL ALIPHATIC ESTER | FIRMENICH SA | 2001-02-27 | — | — | JP | disclosed |
| EP-1069176-A1 | Aliphatic esters and their use as perfume ingredients | FIRMENICH SA (CH) | 2001-01-17 | — | — | EP | disclosed |