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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | ITPR3 | Q14573 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22393 | 0.98 | SMPD1 (0.40) | SMPD1ADORA1ITPR3 | |
| Pyrophosphoric Acid SCHEMBL7582145 | 0.97 | SMPD1 (0.39) | SMPD1ADORA1ITPR3 | |
| SCHEMBL30360450 | 0.94 | P2RY14 (0.39) | — | |
| SCHEMBL4143599 | 0.88 | SMPD1 (0.47) | SMPD1ITPR3 | |
| SCHEMBL29656742 | 0.84 | P2RY14 (0.47) | — | |
| SCHEMBL3360274 | 0.84 | P2RY14 (0.47) | — | |
| SCHEMBL7541741 | 0.83 | P2RY14 (0.49) | — | |
| SCHEMBL7568791 | 0.83 | P2RY14 (0.49) | — | |
| SCHEMBL7568898 | 0.83 | P2RY14 (0.49) | — | |
| SCHEMBL7568905 | 0.83 | P2RY14 (0.49) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023074687-A1 | METHOD FOR MEASURING PYROPHOSPHORIC ACID OR PHOSPHORIBOSYL PYROPHOSPHATE, MEASUREMENT COMPOSITION AND REAGENT KIT FOR MEASURING SAME, AND AMPLIFICATION METHOD THEREOF | 旭化成ファーマ株式会社 | 2023-05-04 | — | — | WO | disclosed |
| WO-2022217695-A1 | PREPARATION METHOD FOR MONONUCLEOTIDE OF NICOTINIC ACID OR DERIVATIVE THEREOF AND BIOLOGICAL PRODUCT OF MONONUCLEOTIDE | 百瑞全球有限公司 | 2022-10-20 | — | — | WO | disclosed |