Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pyrophosphoric Acid. 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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.38 |
| ▸ | XDH known ✓ | P47989 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | QPCT | Q16769 | 2/20 | 0.37 |
| ▸ | QPCTL | Q9NXS2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | CASP6 | P55212 | 2/20 | 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 | |
|---|---|---|---|---|
| Pyrophosphoric Acid SCHEMBL28258905 | 0.92 | SMN1; SMN2 (0.43) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Pyrophosphoric Acid SCHEMBL28258906 | 0.90 | SMN1; SMN2 (0.42) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Triphosphate SCHEMBL4969246 | 0.89 | SMN1; SMN2 (0.41) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Benzimidazole SCHEMBL28459336 | 0.89 | RAB9A (0.45) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Benzimidazole SCHEMBL28467053 | 0.89 | RAB9A (0.45) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Benzimidazole SCHEMBL28471251 | 0.85 | RAB9A (0.45) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Benzimidazole SCHEMBL15092883 | 0.85 | RAB9A (0.45) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Benzimidazole SCHEMBL28462564 | 0.85 | RAB9A (0.45) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Benzimidazole SCHEMBL1760296 | 0.85 | SMN1; SMN2 (0.47) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD | |
| Benzimidazole SCHEMBL4969244 | 0.85 | SMN1; SMN2 (0.47) | SMN1; SMN2RAB9AKDM4EALDH1A1HPGD |
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-109021049-A | A kind of synthetic method of 5 '-diphosphonic acid of uridine-benzimidazole disodium | 扬子江药业集团北京海燕药业有限公司 | 2018-12-18 | — | — | CN | claimed |
| CN-109021049-A | A kind of synthetic method of 5 '-diphosphonic acid of uridine-benzimidazole disodium | 扬子江药业集团北京海燕药业有限公司 | 2018-12-18 | — | — | CN | disclosed |
| CN-109021049-A | A kind of synthetic method of 5 '-diphosphonic acid of uridine-benzimidazole disodium | 扬子江药业集团北京海燕药业有限公司 | 2018-12-18 | — | — | CN | disclosed |