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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.33 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL4305478 | 0.82 | DGAT1 (0.46) | DGAT1KCNN4NPSR1SRCL3MBTL1 | |
| SCHEMBL11429222 | 0.75 | DGAT1 (0.52) | DGAT1KCNN4NPSR1CA4CYP2C19 | |
| SCHEMBL20622633 | 0.75 | DGAT1 (0.41) | DGAT1KCNN4NPSR1SRCL3MBTL1 | |
| SCHEMBL22749071 | 0.75 | KCNN4 (0.41) | DGAT1KCNN4NPSR1SRCL3MBTL1 | |
| SCHEMBL28019031 | 0.72 | — | — | |
| SCHEMBL7942825 | 0.72 | TSHR (0.40) | CA4CYP2C19CA1 | |
| SCHEMBL677960 | 0.71 | — | — | |
| SCHEMBL6065154 | 0.71 | — | — | |
| SCHEMBL28114675 | 0.70 | — | — | |
| Dalapon SCHEMBL1043436 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6271386-B1 | COMPLEXABLE WITH ACTIVE AGROCHEMICAL, PHARMACEUTICAL OR COSMETIC AGENTS FOR CONTROLLED RELEASE THEREOF; LAUNDRY DETERGENT OR RINSING COMPOSITION. | ISP INVESTMENTS INC. | 2001-08-07 | — | — | US | disclosed |
| WO-2000035880-A1 | QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS | ISP INVESTMENTS INC. (US) | 2000-06-22 | — | — | WO | disclosed |