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 | |
|---|---|---|---|---|
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | BID | P55957 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.43 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.43 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.43 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11790246 | 0.97 | LIPG (0.50) | LIPGNR1H2NR1H3KCNH2BID | |
| SCHEMBL4773210 | 0.97 | LIPG (0.50) | LIPGNR1H2NR1H3KCNH2BID | |
| SCHEMBL194470 | 0.97 | LIPG (0.50) | LIPGNR1H2NR1H3KCNH2BID | |
| Tetramethylammonium Ion SCHEMBL5605394 | 0.93 | LIPG (0.47) | LIPGNR1H2NR1H3KCNH2BID | |
| Tetrabuthylammonium SCHEMBL5605702 | 0.91 | LIPG (0.45) | LIPGNR1H2NR1H3KCNH2BID | |
| SCHEMBL1361329 | 0.91 | LIPG (0.45) | LIPGNR1H2NR1H3KCNH2BID | |
| Tetrylammonium SCHEMBL5605834 | 0.91 | LIPG (0.45) | LIPGNR1H2NR1H3KCNH2BID | |
| SCHEMBL7750894 | 0.88 | LIPG (0.43) | LIPGNR1H2NR1H3KCNH2BID | |
| SCHEMBL7569431 | 0.83 | LIPG (0.54) | LIPGNR1H2NR1H3BIDMCL1 | |
| SCHEMBL57426 | 0.83 | LIPG (0.54) | LIPGNR1H2NR1H3BIDMCL1 |
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-20050266996-A1 | Combinations of crop protection agents with organic or inorganic carrier materials | BAYER CROPSCIENCE GMBH (DE) | 2005-12-01 | — | — | US | disclosed |
| US-20050054532-A1 | Combination of crop protection agents with hydrogen bond-forming polymers | KOCUR JEAN (DE) | 2005-03-10 | — | — | US | disclosed |
| US-20020055436-A1 | Agrochemically active compound and a solid carrier material which surrounds the active compound, to suppress antagonistic interactions in mixture | AVENTIS CROPSCIENCE GMBH (DE) | 2002-05-09 | — | — | US | disclosed |
| US-20020042345-A1 | Combination of crop protection agents with hydrogen bond-forming polymers | AVENTIS CROPSCIENCE GMBH (DE) | 2002-04-11 | — | — | US | disclosed |
| US-20020019314-A1 | Combinations of crop protection agents with cationic polymers | AVENTIS CROPSCIENCE GMBH (DE) | 2002-02-14 | — | — | US | disclosed |
| US-20020010099-A1 | Combinations of crop protection agents with anionic polymers | AVENTIS CROPSCIENCE GMBH (DE) | 2002-01-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020019314-A1 | Combinations of crop protection agents with cationic polymers | PEF1, CTSA, PARG | LIPG 3167/4885NR1H2 4803/4885NR1H3 4809/4885 |
| US-20020042345-A1 | Combination of crop protection agents with hydrogen bond-forming polymers | CAT, GPX4, GPX1 | LIPG 1342/4885NR1H2 4647/4885NR1H3 4653/4885 |
| US-20050054532-A1 | Combination of crop protection agents with hydrogen bond-forming polymers | CAT, GPX4, GPX1 | LIPG 1342/4885NR1H2 4647/4885NR1H3 4653/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.