Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22227457 | 0.95 | CA4 (0.50) | CA4ALDH1A1 | |
| SCHEMBL15995536 | 0.95 | CA4 (0.50) | CA4ALDH1A1 | |
| SCHEMBL9325401 | 0.95 | CA4 (0.50) | CA4ALDH1A1 | |
| Zinc Ion SCHEMBL19813209 | 0.95 | CA4 (0.50) | CA4ALDH1A1 | |
| Water SCHEMBL5360332 | 0.94 | CA4 (0.48) | CA4ALDH1A1 | |
| Citric Acid SCHEMBL7055559 | 0.93 | CA4 (0.49) | CA4ALDH1A1 | |
| SCHEMBL29234711 | 0.92 | CA4 (0.55) | CA4ALDH1A1 | |
| Citric Acid SCHEMBL12481970 | 0.91 | CA4 (0.47) | CA4ALDH1A1 | |
| SCHEMBL4617845 | 0.89 | ALDH1A1 (0.48) | CA4ALDH1A1 | |
| SCHEMBL2030766 | 0.85 | CA4 (0.63) | CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5643675-A | MIXTURES OF THERMOSETTING RESIN, LATENT ACID CATALYST AND ALKALI METAL SALT OF POLYBASIC ACID(AS LIFE EXTENDER), FOR MAKING FOUNDRY CORES OR MOLDS WITH SAND | BORDEN, INC. (US) | 1997-07-01 | — | — | US | claimed |
| EP-3377044-B1 | IBUPROFEN COMPOSITIONS FOR DIRECT ORAL ADMINISTRATION | HERMES PHARMA GMBH (DE) | 2021-09-29 | — | — | EP | disclosed |
| EP-3377044-A1 | IBUPROFEN COMPOSITIONS FOR DIRECT ORAL ADMINISTRATION | Hermes Arzneimittel GmbH (DE) | 2018-09-26 | — | — | EP | disclosed |
| US-20030158375-A1 | G-CSF polypeptides and conjugates | MAXYGEN HOLDINGS, LTD. | 2003-08-21 | — | — | US | disclosed |