Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2559403 | 0.84 | ATM (0.47) | CA2ALDH1A1PPARGPPARAATM | |
| SCHEMBL11674168 | 0.83 | CA2 (0.47) | PTGS2CA2ALDH1A1PPARGPPARD | |
| SCHEMBL27708582 | 0.82 | CA2 (0.45) | CA2ALDH1A1PPARGPPARDPPARA | |
| SCHEMBL31428 | 0.80 | CA2 (0.71) | PTGS2CA2ALDH1A1PPARGPPARD | |
| SCHEMBL31275634 | 0.80 | CA2 (0.71) | PTGS2CA2ALDH1A1PPARGPPARD | |
| SCHEMBL2568263 | 0.79 | ALDH1A1 (0.73) | ALDH1A1PPARGPPARDPPARAKDM4E | |
| Water SCHEMBL8587595 | 0.78 | CA2 (0.68) | PTGS2CA2ALDH1A1PPARGPPARD | |
| Ammonia Solution, Strong SCHEMBL266403 | 0.78 | CA2 (0.68) | PTGS2CA2ALDH1A1PPARGPPARD | |
| SCHEMBL2563683 | 0.77 | PTGS2 (0.54) | PTGS2CA2ALDH1A1PPARGPPARD | |
| SCHEMBL12797853 | 0.77 | PTGS2 (0.54) | PTGS2CA2ALDH1A1TUBB1ATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2561051-A1 | ORGANIC CARBONATES WITH VANILLA ODOR | Firmenich SA (CH) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011132098-A1 | ORGANIC CARBONATES WITH VANILLA ODOR | FIRMENICH SA (CH) | 2011-10-27 | — | — | WO | disclosed |