Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | PPARD | Q03181 | 4/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7984078 | 0.78 | AKR1B1 (0.48) | AKR1B1FFAR4FFAR1PPARGPPARD | |
| SCHEMBL11380958 | 0.77 | CES2 (0.43) | CES2CES1FFAR1PPARDGPR84 | |
| SCHEMBL8904028 | 0.73 | ALDH1A1 (0.49) | CES2CES1CYSLTR2CYSLTR1AKR1B1 | |
| SCHEMBL8904524 | 0.71 | ALDH1A1 (0.51) | CYSLTR2CYSLTR1FFAR4FFAR1PPARG | |
| SCHEMBL7998007 | 0.68 | CES2 (0.50) | CES2CES1TSHRTDP1MEN1 | |
| SCHEMBL8904577 | 0.68 | NPSR1 (0.46) | CES2CES1CYSLTR2CYSLTR1S1PR2 | |
| Hexanoate SCHEMBL149901 | 0.68 | AKR1B1 (0.61) | CES2CES1AKR1B1FFAR4FFAR1 | |
| Hexanoate SCHEMBL105634 | 0.67 | CES2 (0.53) | CES2CES1PPARGHDAC11 | |
| Diphenylmethanol SCHEMBL27813920 | 0.67 | GPR84 (0.59) | AKR1B1FFAR4FFAR1PPARGPPARD | |
| Naphthalene SCHEMBL28148380 | 0.67 | AKR1B1 (0.67) | CES2CES1AKR1B1FFAR4FFAR1 |
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 |