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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1643318 | 0.80 | CA2 (0.44) | CA2CA1CA4KDM4EMAPT | |
| SCHEMBL8948418 | 0.76 | CA2 (0.41) | CA2CA1CA4KDM4EMAPT | |
| SCHEMBL8998363 | 0.76 | FFAR3 (0.37) | CA2CA1CA4KDM4EMAPT | |
| Zinc Ion SCHEMBL9489096 | 0.75 | CA2 (0.39) | CA2CA1CA4KDM4EMAPT | |
| SCHEMBL3986267 | 0.75 | CA2 (0.39) | CA2CA1CA4KDM4EMAPT | |
| SCHEMBL10787610 | 0.75 | CA2 (0.39) | CA2CA1CA4KDM4EMAPT | |
| SCHEMBL186528 | 0.74 | TDP1 (0.39) | KDM4EALOX15FFAR3 | |
| Edetic Acid SCHEMBL8622097 | 0.73 | KDM4E (0.61) | CA2CA1CA4KDM4EMAPT | |
| SCHEMBL1322891 | 0.72 | TDP1 (0.38) | KDM4EALOX15FFAR3 | |
| Ammonia Solution, Strong SCHEMBL3916100 | 0.72 | TDP1 (0.38) | KDM4EALOX15FFAR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110846161-B | Soap-based composition for personal washing care | 上海绿瑞生物科技有限公司 | 2021-07-13 | — | — | CN | disclosed |
| CN-110846161-A | Soap-based composition for personal washing care | 上海绿瑞生物科技有限公司 | 2020-02-28 | — | — | CN | disclosed |
| US-4123276-A | COPOLYMER OF ACRYLIC ESTER AND NITRILE, DIAZO COMPOUND, PRINTING PLATE | FUJI PHOTO FILM CO., LTD. (JP) | 1978-10-31 | — | — | US | disclosed |