Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.45 |
| ▸ | PPARG | P37231 | 7/20 | 0.45 |
| ▸ | PPARD | Q03181 | 7/20 | 0.45 |
| ▸ | PPARA | Q07869 | 7/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | TLR2 | O60603 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | FABP4 | P15090 | 2/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL28776116 | 1.00 | ALDH1A1 (0.50) | ALDH1A1LMNAGAACES2CES1 | |
| Hexanoate SCHEMBL9453801 | 0.95 | AKR1B1 (0.55) | ALDH1A1LMNAGAACES2CES1 | |
| Succinic Acid SCHEMBL23581474 | 0.81 | TSHR (0.59) | ALDH1A1LMNAGAACYP1A2PPARG | |
| Biphenyl SCHEMBL27377379 | 0.79 | AKR1B1 (0.56) | ALDH1A1LMNACES2CES1AKR1B1 | |
| Octane SCHEMBL4861483 | 0.78 | TSHR (0.55) | ALDH1A1LMNAGAACYP1A2GPR84 | |
| Valeric Acid SCHEMBL29375926 | 0.78 | CES2 (0.44) | ALDH1A1CES2CES1AKR1B1GPR84 | |
| Valeric Acid SCHEMBL1674731 | 0.78 | AKR1B1 (0.74) | ALDH1A1LMNAAKR1B1GPR84PPARG | |
| Fluorene SCHEMBL17443012 | 0.77 | AKR1B1 (0.55) | ALDH1A1CES2CES1AKR1B1GPR84 | |
| Valeric Acid SCHEMBL5691417 | 0.77 | HSD17B3 (0.55) | ALDH1A1CES2CES1AKR1B1GPR84 | |
| Valeric Acid SCHEMBL6158046 | 0.77 | AKR1B1 (0.54) | ALDH1A1CES2CES1AKR1B1GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| US-5959159-A | UTILIZES A MICROBIAL LIPASE DERIVED FROM CHROMOBACTERIUM VISCOSUM TO CATALYZE THE ENANTIOSELECTIVE AND REGIOSELECTIVE HYDROLYSIS OF THE (S)(-)-ENANTIOMER OF THE RACEMIC MIXTURE TO ITS CORRESPONDING MONOESTER | MOLECULAR OPTOELECTRONICS CORPORATION (US) | 1999-09-28 | — | — | US | disclosed |
| WO-1999022015-A1 | METHOD FOR PREPARING OPTICALLY ACTIVE 5-HYDROXY-3- (4'-HYDROXYPHENYL)-1, 1,3-TRIMETHYLINDANE | MOLECULAR OPTOELECTRONICS CORPORATION (US) | 1999-05-06 | — | — | WO | disclosed |