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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY1 known ✓ | P47900 | 9/20 | 0.56 |
| ▸ | P2RY2 known ✓ | P41231 | 2/20 | 0.56 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.79 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.79 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.74 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.74 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SRC | P12931 | 1/20 | 0.56 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MACROD2 | A1Z1Q3 | 1/20 | 0.53 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.53 |
| ▸ | MACROD1 | Q9BQ69 | 1/20 | 0.53 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.53 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.51 |
| ▸ | P2RY11 | Q96G91 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29395130 | 0.89 | P2RX3 (0.98) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL29601540 | 0.89 | P2RX3 (1.00) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL10021603 | 0.89 | P2RX3 (1.00) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL840111 | 0.88 | P2RX3 (0.88) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL20282630 | 0.86 | TAS1R3 (1.00) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL20266301 | 0.86 | TAS1R3 (1.00) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL20277542 | 0.86 | TAS1R3 (1.00) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL20277494 | 0.86 | TAS1R3 (1.00) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| SCHEMBL30969959 | 0.85 | TAS1R3 (0.98) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 | |
| Adenosine Triphosphate SCHEMBL574960 | 0.83 | P2RY1 (0.83) | P2RX3P2RX2TAS1R3TAS1R1P2RY1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110494569-B | Protease sensor molecules | 联邦科学技术研究组织 | 2024-08-02 | — | — | CN | disclosed |
| US-11952612-B2 | Protease sensor molecules | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2024-04-09 | — | — | US | disclosed |
| EP-3538665-B1 | PROTEASE SENSOR MOLECULES | PPB TECH PTY LTD (AU) | 2024-01-03 | — | — | EP | disclosed |
| CN-115029361-A | Construction method and application of sensor for in-situ monitoring of intracellular ATP content | 南京农业大学 | 2022-09-09 | — | — | CN | disclosed |