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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL285039 | 1.00 | CA4 (0.42) | CA4CA1FAHD1APAF1POLB | |
| SCHEMBL285040 | 1.00 | CA4 (0.42) | CA4CA1FAHD1APAF1POLB | |
| Potassium Ion SCHEMBL29684679 | 0.97 | CA4 (0.44) | CA4CA1FAHD1 | |
| SCHEMBL31656550 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL11525049 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL5486609 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL4934869 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL4934880 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| Lithium Ion SCHEMBL31389434 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL11527646 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4306079-A | Novel ester derivatives of polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1981-12-15 | — | — | US | disclosed |
| US-4299773-A | Ester derivatives of polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1981-11-10 | — | — | US | disclosed |
| US-4275007-A | β-Lactone esters | LEVER BROTHERS COMPANY (US) | 1981-06-23 | — | — | US | disclosed |
| US-4273935-A | Salts of propene 1,1,2,3-tetracarboxylic acid | LEVER BROTHERS COMPANY (US) | 1981-06-16 | — | — | US | disclosed |
| US-4218381-A | Novel ester derivatives of polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1980-08-19 | — | — | US | disclosed |
| US-4209636-A | Preparation of ester derivatives of polycarboxylic acids | LEVER BROTHERS COMPANY (US) | 1980-06-24 | — | — | US | disclosed |
| US-4159388-A | Ester derivatives of 1-halo-1,1,2,3-propane tetracarboxylic acid | LEVER BROTHERS COMPANY (US) | 1979-06-26 | — | — | US | disclosed |
| US-4145558-A | Ester derivatives of ether polycarboxylic acids | LEVER BROTHERS COMPANY (US) | 1979-03-20 | — | — | US | disclosed |
| US-4133960-A | Novel ester derivatives of ether polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1979-01-09 | — | — | US | disclosed |
| US-4123458-A | HALOGENATION, DEHYDROGENATION, DECARBOXYLATION | LEVER BROTHERS COMPANY (US) | 1978-10-31 | — | — | US | disclosed |
| US-4058554-A | Novel ester derivatives of ether polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1977-11-15 | — | — | US | disclosed |