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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.39 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL689420 | 0.96 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL10960695 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL4787070 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| Zinc Ion SCHEMBL4737091 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL10955286 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL8616908 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL10955289 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL22059 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL1148444 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1TSHRCA2 | |
| SCHEMBL8878430 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDTDP1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070027243-A1 | Stabilizer compositions for halogen containing polymers | CIBA SPECIALTY CHEMICALS CORP. | 2007-02-01 | — | — | US | disclosed |
| EP-1680463-A2 | STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS | Ciba SC Holding AG (CH) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005049715-A2 | STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-06-02 | — | — | WO | disclosed |
| US-5969015-A | FOR ENHANCING PERFORMANCE PROPERTIES OF LUBRICANTS, HYDRAULIC FLUIDS OR METAL PROCESSING FLUIDS | WITCO VINYL ADDITIVES GMBH (DE) | 1999-10-19 | — | — | US | disclosed |
| US-4630080-A | CONTAINING CALCIUM MONOBENZY PHTHALATE AS STABILIZER, AND A DIPHENYLSULFONE AS DEVELOPER FOR COLORLESS DYE | JUJO PAPER CO., LTD. (JP) | 1986-12-16 | — | — | US | disclosed |
| US-4502066-A | STABILIZERS OF P-ALKYL- OR O-BENZOYLBENZOIC ACID METAL SALTS; OIL REPELLANTS | JUJO PAPER CO., LTD. (JP) | 1985-02-26 | — | — | US | disclosed |