Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 9/20 | 0.52 |
| ▸ | FAAH | O00519 | 8/20 | 0.52 |
| ▸ | CES2 | O00748 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8038894 | 1.00 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL408886 | 1.00 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| Water SCHEMBL7571456 | 0.98 | CES1 (0.50) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL1434320 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL67299 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL5424532 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL157582 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| Potassium Ion SCHEMBL8081715 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| Potassium Ion SCHEMBL8074283 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 | |
| SCHEMBL1434474 | 0.96 | CES1 (0.52) | CES1FAAHCES2MEN1CYP1A2 |
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-6022916-A | MELT EXTRUSION OF PHOSPHITE STABILIZED POLYOLEFIN COMPOSITIONS SUBJECT TO SOLID BY-PRODUCT FORMATION DURING MELT EXTRUSION IS IMPROVED BY THE ADDITION OF A METAL SALT OF A LACTIC ACID TO THE COMPOSITION. | GENERAL ELECTRIC COMPANY (US) | 2000-02-08 | — | — | US | disclosed |
| US-5414034-A | Polyolefin, bis/2,6-di-t-butyl-4-methylphenyl/ pentaerythritol diphosphite, and metal lactate; reduced screen pack plugging during melt extrusion | GENERAL ELECTRIC COMPANY (US) | 1995-05-09 | — | — | US | disclosed |
| EP-0618314-A1 | Improved processing stabilizer formulations | GENERAL ELECTRIC COMPANY (US) | 1994-10-05 | — | — | EP | disclosed |