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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.39 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.38 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PKLR | P30613 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27416482 | 0.84 | CA2 (0.52) | TDP1L3MBTL1CA2CA4CA1 | |
| SCHEMBL6271704 | 0.83 | UNG (0.58) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL27796051 | 0.82 | TDP1 (0.40) | TDP1ATML3MBTL1CA2CA4 | |
| SCHEMBL5604703 | 0.78 | CES2 (0.57) | TDP1CA2CA1CA9CES1 | |
| Isophthalic Acid SCHEMBL15798593 | 0.77 | CA1 (0.56) | TDP1ATML3MBTL1CA2CA1 | |
| Isophthalic Acid SCHEMBL1396767 | 0.77 | CA2 (0.56) | TDP1ATML3MBTL1CA2CA4 | |
| SCHEMBL2813323 | 0.76 | L3MBTL1 (0.46) | TDP1ATML3MBTL1CA2CA1 | |
| SCHEMBL7764796 | 0.74 | STS (0.46) | TDP1ATML3MBTL1CA2CA1 | |
| SCHEMBL29240939 | 0.74 | L3MBTL1 (0.44) | TDP1ATML3MBTL1CA2CA1 | |
| Isophthalic Acid SCHEMBL11674052 | 0.73 | CA2 (0.50) | TDP1ATML3MBTL1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-10088412-A | — | — | None | — | — | JP | disclosed |
| JP-H1088412-A | POLYESTER OUTER WEAR PRODUCT AND PRODUCTION THEREOF | TORAY IND INC | 1998-04-07 | — | — | JP | disclosed |
| EP-0516372-B1 | Concentrated dampening water composition for lithographic printing | FUJI PHOTO FILM CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |