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 | 3/20 | 0.48 |
| ▸ | GABBR2 known ✓ | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10546330 | 0.97 | KMT2A (0.54) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| SCHEMBL9455202 | 0.85 | MEN1 (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| SCHEMBL1567923 | 0.85 | MEN1 (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| SCHEMBL11438934 | 0.81 | MEN1 (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| SCHEMBL11890263 | 0.81 | GAA (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| Zinc Ion SCHEMBL9419681 | 0.81 | MEN1 (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| SCHEMBL30216005 | 0.81 | MEN1 (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| SCHEMBL914945 | 0.81 | MEN1 (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| SCHEMBL31688385 | 0.81 | MEN1 (0.58) | KMT2AMEN1GAAHMGCRALDH1A1 | |
| Alcohol SCHEMBL28615118 | 0.81 | KMT2A (0.54) | KMT2AMEN1GAAHMGCRALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0757715-B1 | CELLULASE FABRIC-CONDITIONING COMPOSITIONS | PROCTER & GAMBLE (US) | 1999-12-08 | — | — | EP | claimed |
| US-5948840-A | ALKALINE EARTH METAL BIS(MONOETHYL(3,5-DI-T-BUTYL-4-HYDROXYBENZYL)PHOSPHONATE) CRYSTALLINE MODIFIER | THE DOW CHEMICAL COMPANY (US) | 1999-09-07 | — | — | US | claimed |
| US-11674037-B2 | Composition, and flame-retardant resin composition | ADEKA CORPORATION (JP) | 2023-06-13 | — | — | US | disclosed |
| US-20200165448-A1 | COMPOSITION, AND FLAME-RETARDANT RESIN COMPOSITION | ADEKA CORPORATION (JP) | 2020-05-28 | — | — | US | disclosed |
| EP-2828305-A1 | SUPERABSORBENT COPOLYMER | Evonik Corporation (US) | 2015-01-28 | — | — | EP | disclosed |
| WO-2013139673-A1 | SUPERABSORBENT COPOLYMER | EVONIK CORPORATION (US) | 2013-09-26 | — | — | WO | disclosed |
| EP-1598402-B1 | CURABLE COMPOSITIONS | KANEKA CORP (JP) | 2012-05-02 | — | — | EP | disclosed |
| US-20060079645-A1 | Curable compositions | KANEKA CORPORATION (JP) | 2006-04-13 | — | — | US | disclosed |
| EP-1598402-A1 | CURABLE COMPOSITIONS | KANEKA CORPORATION (JP) | 2005-11-23 | — | — | EP | disclosed |
| US-5948840-A | ALKALINE EARTH METAL BIS(MONOETHYL(3,5-DI-T-BUTYL-4-HYDROXYBENZYL)PHOSPHONATE) CRYSTALLINE MODIFIER | THE DOW CHEMICAL COMPANY (US) | 1999-09-07 | — | — | US | disclosed |
| US-4668721-A | PHOSPHITE, HINDERED AMINE, PHENOLIC ANTIOXIDANT | CIBA-GEIGY CORPORATION (US) | 1987-05-26 | — | — | US | disclosed |