Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.50 |
| ▸ | CES1 | P23141 | 5/20 | 0.50 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10963522 | 0.83 | HTT (0.36) | CES2CES1MAPTLMNAMAPK1 | |
| SCHEMBL10961470 | 0.76 | ALDH1A1 (0.44) | KMT2AMAPTMEN1LMNATSHR | |
| Hexanoate SCHEMBL105634 | 0.73 | CES2 (0.53) | CES2CES1 | |
| SCHEMBL3227911 | 0.73 | ALDH1A1 (0.41) | CES2CES1MAPTLMNATSHR | |
| SCHEMBL6912635 | 0.73 | ALDH1A1 (0.41) | CES2CES1MAPTLMNATSHR | |
| SCHEMBL6002849 | 0.73 | CES2 (0.39) | CES2CES1EPHX2KMT2AMEN1 | |
| SCHEMBL9639802 | 0.73 | CES1 (0.39) | CES2CES1KMT2AMAPTMEN1 | |
| Octanoic Acid SCHEMBL106093 | 0.72 | CES2 (0.54) | CES2CES1EPHX2 | |
| Heptanoate SCHEMBL107320 | 0.72 | CES2 (0.54) | CES2CES1EPHX2 | |
| Decanoic Acid SCHEMBL109283 | 0.72 | CES2 (0.54) | CES2CES1EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001051481-A1 | METHOD FOR THE SYNTHESIS OF 6N-PENTYL-2H-PYRAN-2-ONE | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2001-07-19 | — | — | WO | disclosed |