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 | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 2/20 | 0.50 |
| ▸ | GABBR2 known ✓ | O75899 | 1/20 | 0.40 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7184451 | 0.97 | HMGCR (0.50) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL2279290 | 0.87 | HMGCR (0.54) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL2279291 | 0.85 | HMGCR (0.52) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL9455197 | 0.77 | ALDH1A1 (0.46) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL269627 | 0.77 | HMGCR (0.38) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL10426639 | 0.75 | HMGCR (0.65) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL28846430 | 0.74 | HMGCR (0.60) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL9162616 | 0.74 | HMGCR (0.38) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL2861240 | 0.74 | HMGCR (0.52) | HMGCRKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL10426640 | 0.74 | HMGCR (0.63) | HMGCRKMT2AALDH1A1MEN1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2159274-B1 | BRAKE FLUID CONTAINING TETRAZOLE | CHIYODA CHEMICAL CO LTD (JP) | 2013-04-17 | — | — | EP | disclosed |
| US-8357642-B2 | Functional fluid | CHIYODA CHEMICAL CO., LTD. (JP) | 2013-01-22 | — | — | US | disclosed |
| US-20100137174-A1 | FUNCTIONAL FLUID | CHIYODA CHEMICAL CO., LTD. (JP) | 2010-06-03 | — | — | US | disclosed |
| EP-2159274-A1 | FUNCTIONAL FLUID | Chiyoda Chemical Co. Ltd (JP) | 2010-03-03 | — | — | EP | disclosed |
| EP-1406932-B1 | QUICK CURING COMPOSITION | KANEKA CORP (JP) | 2007-12-12 | — | — | EP | disclosed |
| US-20040210019-A1 | Quick curing compositions | KANEKA CORPORATION (JP) | 2004-10-21 | — | — | US | disclosed |