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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 3/20 | 0.40 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.40 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.37 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.37 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.37 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.37 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.37 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843874 | 0.77 | CYP3A4 (0.54) | CYP3A4ALDH1A1CYP2C19GABRA1GABRB2 | |
| SCHEMBL8958887 | 0.77 | GABRA1 (0.43) | CYP3A4ALDH1A1CYP2C19GABRA1GABRB2 | |
| SCHEMBL30717958 | 0.77 | CYP3A4 (0.54) | CYP3A4ALDH1A1CYP2C19GABRA1GABRB2 | |
| SCHEMBL8959279 | 0.75 | CYP3A4 (0.53) | CYP3A4ALDH1A1CYP2C19GABRA1GABRB2 | |
| SCHEMBL27872592 | 0.75 | CYP3A4 (0.53) | CYP3A4ALDH1A1CYP2C19GABRA1GABRB2 | |
| SCHEMBL11859111 | 0.71 | G6PD (0.42) | ALDH1A1CA2G6PD | |
| SCHEMBL3147532 | 0.71 | TSHR (0.41) | CYP3A4ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL30679046 | 0.71 | TSHR (0.41) | CYP3A4ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL31204330 | 0.71 | GABRA1 (0.60) | CYP3A4ALDH1A1GABRA1GABRB2LMNA | |
| Potassium Ion SCHEMBL11327766 | 0.71 | FABP3 (0.35) | CYP3A4ALDH1A1CYP2C19LMNACA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019203356-A1 | ADHESIVE COMPOSITION FOR DENTAL USE | クラレノリタケデンタル株式会社 | 2019-10-24 | — | — | WO | disclosed |
| US-5486544-A | AROMATIC SULFINATE POLYMERIZATION CATALYST | KURARAY CO., LTD. (JP) | 1996-01-23 | — | — | US | disclosed |
| EP-0408357-B1 | Polymerizable composition | KURARAY CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| EP-0408357-A2 | Polymerizable composition | KURARAY CO., LTD. (JP) | 1991-01-16 | — | — | EP | disclosed |