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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.52 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.52 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.52 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | TTR | P02766 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11769569 | 0.89 | ALDH1A1 (0.66) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| Xanoxic Acid SCHEMBL29400285 | 0.86 | ALDH1A1 (0.67) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL11772095 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL11774796 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL11772075 | 0.83 | NPC1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL10454175 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL11766575 | 0.79 | KMT2A (0.61) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL11766718 | 0.77 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL11768660 | 0.76 | ALDH1A1 (0.67) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL11768887 | 0.76 | KMT2A (0.67) | ALDH1A1KDM4EHPGDHSD17B10MEN1 |
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 |