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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8520120 | 0.76 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL8520279 | 0.74 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL327516 | 0.73 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL9067170 | 0.73 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL1897643 | 0.70 | — | — | |
| SCHEMBL3889852 | 0.69 | — | — | |
| SCHEMBL676588 | 0.69 | — | — | |
| SCHEMBL170266 | 0.69 | — | — | |
| SCHEMBL10715503 | 0.69 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL9265329 | 0.65 | ALDH1A1 (0.37) | ALDH1A1 |
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-RE36175-E | TREATING SUSCEPTIBLE PLANT WITH COMPOUND AND KETOL-ACID REDUCTOISOMERASE INHIBITOR, TREATING SECOND PLANT WITH INHIBITOR ALONE, MEASURING ACETOLACTATE AND ACETOHYDROXYBUTYRATE FORMED | AMERICAN CYANAMID COMPANY (US) | 1999-03-30 | — | — | US | claimed |
| US-5356789-A | For plants; quantitative, colorimetric analysis | AMERICAN CYANAMID COMPANY (US) | 1994-10-18 | — | — | US | claimed |
| US-RE36175-E | TREATING SUSCEPTIBLE PLANT WITH COMPOUND AND KETOL-ACID REDUCTOISOMERASE INHIBITOR, TREATING SECOND PLANT WITH INHIBITOR ALONE, MEASURING ACETOLACTATE AND ACETOHYDROXYBUTYRATE FORMED | AMERICAN CYANAMID COMPANY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5356789-A | For plants; quantitative, colorimetric analysis | AMERICAN CYANAMID COMPANY (US) | 1994-10-18 | — | — | US | disclosed |