Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | PRKCA | P17252 | 2/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.36 |
| ▸ | PPARG | P37231 | 7/20 | 0.36 |
| ▸ | PPARD | Q03181 | 7/20 | 0.36 |
| ▸ | PPARA | Q07869 | 7/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TLR2 | O60603 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 2/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6503493 | 1.00 | NAAA (0.37) | NAAACES2CES1PRKCAGPR84 | |
| SCHEMBL6508387 | 1.00 | NAAA (0.37) | NAAACES2CES1PRKCAGPR84 | |
| SCHEMBL6515153 | 0.91 | NAAA (0.34) | NAAACES2CES1PRKCAGPR84 | |
| SCHEMBL6507149 | 0.91 | NAAA (0.34) | NAAACES2CES1PRKCAGPR84 | |
| SCHEMBL6528441 | 0.77 | DNTT (0.36) | NAAAPRKCAPPARGPPARDPPARA | |
| SCHEMBL6528440 | 0.77 | DNTT (0.36) | NAAAPRKCAPPARGPPARDPPARA | |
| SCHEMBL6528438 | 0.77 | DNTT (0.36) | NAAAPRKCAPPARGPPARDPPARA | |
| Heptane SCHEMBL13506304 | 0.61 | ALDH1A1 (0.74) | NAAACES2CES1TSHRALDH1A1 | |
| Dodecane SCHEMBL1267197 | 0.61 | ALDH1A1 (0.74) | NAAACES2CES1TSHRALDH1A1 | |
| Heptane SCHEMBL1712572 | 0.61 | ALDH1A1 (0.74) | NAAACES2CES1TSHRALDH1A1 |
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-2005080311-A1 | HYGROPHORONES AND DERIVATIVES THEREOF | LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) | 2005-09-01 | — | — | WO | disclosed |