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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 9/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11770428 | 0.98 | TTR (0.43) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11768970 | 0.98 | TTR (0.43) | TTRNPC1RAB9AAKR1B1LTB4R | |
| Zinc Ion SCHEMBL11771222 | 0.98 | TTR (0.43) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11768188 | 0.98 | TTR (0.43) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11767158 | 0.91 | TTR (0.51) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11768976 | 0.89 | TTR (0.50) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11771233 | 0.89 | TTR (0.50) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11768196 | 0.89 | TTR (0.50) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11770436 | 0.89 | TTR (0.50) | TTRNPC1RAB9AAKR1B1LTB4R | |
| SCHEMBL11770388 | 0.86 | TTR (0.40) | TTRNPC1RAB9AAKR1B1LTB4R |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3989721-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-11-02 | — | — | US | disclosed |
| US-3989720-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-11-02 | — | — | US | disclosed |
| US-3988352-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-10-26 | — | — | US | disclosed |
| US-3979414-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-09-07 | — | — | US | disclosed |
| US-3965115-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-06-22 | — | — | US | disclosed |
| US-3963753-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-06-15 | — | — | US | disclosed |
| US-3963752-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-06-15 | — | — | US | disclosed |