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 | 0.43 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.43 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.43 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.43 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.43 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.43 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.43 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL8959276 | 0.77 | CYP3A4 (0.49) | GABRA1GABRG2GABRB3LMNAGABRB2 | |
| SCHEMBL1021278 | 0.77 | FABP4 (0.44) | GABRA1GABRB2ALDH1A1 | |
| SCHEMBL22264128 | 0.76 | GABRA1 (0.50) | GABRA1GABRG2GABRB3LMNAGABRB2 | |
| SCHEMBL8958889 | 0.74 | GABRA1 (0.48) | GABRA1GABRG2GABRB3LMNAGABRB2 | |
| Potassium Ion SCHEMBL1022542 | 0.72 | FABP4 (0.44) | GABRA1GABRB2ALDH1A1 | |
| SCHEMBL346543 | 0.72 | FABP4 (0.44) | GABRA1GABRB2ALDH1A1 | |
| Lithium Ion SCHEMBL1033043 | 0.72 | FABP4 (0.44) | GABRA1GABRB2ALDH1A1 | |
| SCHEMBL199413 | 0.68 | GABRA1 (0.57) | GABRA1GABRG2GABRB3LMNAGABRB2 | |
| SCHEMBL31204330 | 0.67 | GABRA1 (0.60) | GABRA1GABRG2GABRB3LMNAGABRB2 | |
| SCHEMBL29140086 | 0.67 | GABRA1 (0.44) | GABRA1GABRG2GABRB3LMNAGABRB2 |
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-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 |