Known targets — ChEMBL curated mechanism
rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Stearic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.53 |
| ▸ | PPARG | P37231 | 7/20 | 0.53 |
| ▸ | PPARD | Q03181 | 7/20 | 0.53 |
| ▸ | PPARA | Q07869 | 7/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TLR2 | O60603 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | FABP4 | P15090 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL9462906 | 0.97 | CES2 (0.56) | CES2CES1GPR84PPARGPPARD | |
| Stearic Acid SCHEMBL11777658 | 0.95 | CES2 (0.54) | CES2CES1GPR84PPARGPPARD | |
| Azelaic Acid SCHEMBL6357896 | 0.90 | HDAC3 (0.63) | PPARAHDAC11TSHRTDP1HDAC3 | |
| Stearic Acid SCHEMBL28286218 | 0.89 | CES2 (0.57) | CES2CES1GPR84PPARGPPARD | |
| Hexane SCHEMBL11605841 | 0.88 | LMNA (0.58) | CES2CES1TSHRALDH1A1TDP1 | |
| Hexane SCHEMBL28293805 | 0.88 | LMNA (0.58) | CES2CES1TSHRALDH1A1TDP1 | |
| Nonanoamide SCHEMBL9747610 | 0.88 | CES2 (0.55) | CES2CES1TDP1KMT2AMEN1 | |
| SCHEMBL8959418 | 0.86 | CES2 (0.54) | CES2CES1TSHRALDH1A1TDP1 | |
| Stearic Acid SCHEMBL28271269 | 0.86 | CES2 (0.57) | CES2CES1GPR84PPARGPPARD | |
| Benzoyl Peroxide SCHEMBL9462899 | 0.85 | LMNA (0.59) | CES2CES1GPR84PPARGPPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932666-A | REACTING RECYCLED POLYETHYLENE TEREPHTHALATE WITH 1,3-BUTANEDIOL OR DIETHYLENE GLYCOL AND ALIPHATIC DIACID | ASHLAND INC. (US) | 1999-08-03 | — | — | US | disclosed |
| US-5756554-A | Low profile additives for polyester resin systems based on asymmetric glycols and aromatic diacids | ASHLAND INC. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5552478-A | MOLDED PARTS FOR VEHICLES, UNSATURATED POLYESTERS, SMOOTHNESS, INCORPORATION OF PET WASTE | ASHLAND INC. (US) | 1996-09-03 | — | — | US | disclosed |