Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.45 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ZDHHC2 | Q9UIJ5 | 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 | |
|---|---|---|---|---|
| SCHEMBL6681186 | 1.00 | CA1 (0.50) | CA1CA2MAPK1ACE2FDPS | |
| SCHEMBL3003475 | 1.00 | CA1 (0.50) | CA1CA2MAPK1ACE2FDPS | |
| SCHEMBL10352730 | 0.93 | CA1 (0.59) | CA1ACE2FDPSFFAR1FFAR4 | |
| SCHEMBL18759148 | 0.91 | CA1 (0.57) | CA1ACE2FDPSFFAR1FFAR4 | |
| SCHEMBL240117 | 0.85 | CHRM1 (0.46) | CA1ACE2FDPSSLC1A3SLC1A2 | |
| SCHEMBL7944792 | 0.81 | CA1 (0.50) | CA1CA2MAPK1ACE2FDPS | |
| SCHEMBL22555 | 0.80 | — | — | |
| SCHEMBL1516556 | 0.80 | — | — | |
| SCHEMBL1532456 | 0.80 | — | — | |
| SCHEMBL25294213 | 0.79 | FOLH1 (0.41) | CA1BLM |
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-0921186-B1 | Use of ethyl 3-methyl-2-oxopentanoate as a perfuming ingredient | FIRMENICH & CIE (CH) | 2004-11-03 | — | — | EP | claimed |
| US-6159929-A | Optically active esters and their use as perfuming ingredients | FIRMENICH SA (CH) | 2000-12-12 | — | — | US | disclosed |
| US-5952292-A | ENANTIOMORPHS; UNUSUAL FRUITY ODOR DESCRIBED AS A FRESH WALNUT ODOR TOGETHER WITH A RUM TYPE NOTE; COLOGNES; AFTER-SHAVE LOTIONS; COSMETICS; DETERGENTS; BATH SOAPS AND GELS; SHAMPOO | FIRMENICH S.A. (CH) | 1999-09-14 | — | — | US | disclosed |