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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2025522 | 0.95 | CA4 (0.43) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL5547098 | 0.95 | CA4 (0.43) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL30295805 | 0.95 | CA4 (0.43) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL543233 | 0.95 | CA4 (0.43) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL25368820 | 0.91 | CA4 (0.39) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL1720335 | 0.89 | CA4 (0.38) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL28554389 | 0.89 | CA4 (0.38) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL28339815 | 0.87 | CA4 (0.36) | CA4CA2TSHRCYP3A4NFKB1 | |
| Acetoacetic Acid SCHEMBL939347 | 0.87 | CA4 (0.36) | CA4CA2TSHRCYP3A4NFKB1 | |
| SCHEMBL23087972 | 0.85 | CA2 (0.37) | CA4CA2TSHRCYP3A4NFKB1 |
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-8053029-B2 | Method for fabricating CuInS2 thin film by metal organic chemical vapor deposition, CuInS2 thin film fabricated by the same and method for fabricating In2S3 thin film therefrom | SAMSUNG SDI CO., LTD. (KR) | 2011-11-08 | — | — | US | disclosed |
| US-20080012015-A1 | METHOD FOR FABRICATING CuInS2 THIN FILM BY METAL ORGANIC CHEMICAL VAPOR DEPOSITION, CuInS2 THIN FILM FABRICATED BY THE SAME AND METHOD FOR FABRICATING In2S3 THIN FILM THEREFROM | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2008-01-17 | — | — | US | disclosed |