Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | PTGES | O14684 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23934178 | 1.00 | CES2 (0.50) | CES2CES1PTGS2PTGESALOX5 | |
| SCHEMBL22097029 | 0.87 | ALDH1A1 (0.43) | CES2CES1PTGESALOX5PPARG | |
| SCHEMBL10354112 | 0.83 | CES1 (0.44) | CES2CES1ALDH1A1LMNATDP1 | |
| SCHEMBL8991874 | 0.79 | CYP3A4 (0.51) | CES2CES1PTGS2PTGESALOX5 | |
| SCHEMBL8089512 | 0.79 | CES1 (0.48) | CES2CES1PPARGALDH1A1APEX1 | |
| SCHEMBL88045 | 0.79 | CES1 (0.48) | CES2CES1PPARGALDH1A1APEX1 | |
| Styrene SCHEMBL8635873 | 0.77 | AKR1C3 (0.42) | CES2CES1PTGESALOX5PPARG | |
| Styrene SCHEMBL7110641 | 0.76 | ALOX5 (0.43) | CES2CES1PTGS2PTGESALOX5 | |
| SCHEMBL12095977 | 0.75 | AKR1B1 (0.52) | CES2CES1PPARGALDH1A1APEX1 | |
| SCHEMBL3979241 | 0.75 | CES1 (0.44) | CES2CES1PPARGALDH1A1APEX1 |
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-3896053-A1 | METHOD FOR DIRECTLY CONSTRUCTING TETRA-SUBSTITUTED ALLENIC ACID COMPOUND HAVING HIGH OPTICAL ACTIVITY | Fudan University (CN) | 2021-10-20 | — | — | EP | disclosed |