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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY4 known ✓ | P51582 | 12/20 | 1.00 |
| ▸ | P2RY2 known ✓ | P41231 | 9/20 | 1.00 |
| ▸ | P2RY12 known ✓ | Q9H244 | 5/20 | 0.73 |
| ▸ | P2RY1 known ✓ | P47900 | 1/20 | 0.70 |
| ▸ | P2RY6 known ✓ | Q15077 | 1/20 | 0.70 |
| ▸ | CDK2 | P24941 | 1/20 | 0.70 |
| ▸ | MET | P08581 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL3032350 | 0.88 | P2RY4 (0.80) | P2RY4P2RY2P2RY12CDK2P2RY1 | |
| SCHEMBL15371449 | 0.87 | P2RY4 (0.77) | P2RY4P2RY2P2RY12 | |
| SCHEMBL3033638 | 0.86 | P2RY12 (0.80) | P2RY4P2RY2P2RY12CDK2P2RY1 | |
| SCHEMBL791689 | 0.86 | P2RY4 (0.75) | P2RY4P2RY2P2RY12 | |
| SCHEMBL791449 | 0.85 | P2RY4 (1.00) | P2RY4P2RY2P2RY12CDK2P2RY1 | |
| SCHEMBL791694 | 0.85 | P2RY4 (0.75) | P2RY4P2RY2P2RY12CDK2P2RY1 | |
| SCHEMBL3022506 | 0.84 | P2RY12 (1.00) | P2RY4P2RY2P2RY12CDK2P2RY1 | |
| SCHEMBL790524 | 0.84 | P2RY4 (1.00) | P2RY4P2RY2P2RY12MET | |
| SCHEMBL3025505 | 0.84 | P2RY12 (1.00) | P2RY4P2RY2P2RY12CDK2P2RY1 | |
| SCHEMBL3032357 | 0.83 | P2RY12 (0.77) | P2RY4P2RY2P2RY12CDK2P2RY1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9877940-B2 | Anthraquinone compounds and their uses | DUNDALK INSTITUTE OF TECHNOLOGY (IE) | 2018-01-30 | — | — | US | disclosed |
| US-20160243066-A1 | ANTHRAQUINONE COMPOUNDS AND THEIR USES | DUNDALK INSTITUTE OF TECHNOLOGY (IE) | 2016-08-25 | — | — | US | disclosed |
| US-20130296588-A1 | Anthraquinone Compounds and Their Uses | DUNDALK INSTITUTE OF TECHNOLOGY (IE) | 2013-11-07 | — | — | US | disclosed |
| EP-2616449-A1 | ANTHRAQUINONE COMPOUNDS AND THEIR USES | Dundalk Institute of Technology (IE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035122-A1 | ANTHRAQUINONE COMPOUNDS AND THEIR USES | DUNDALK INSTITUTE OF TECHNOLOGY (IE) | 2012-03-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130296588-A1 | Anthraquinone Compounds and Their Uses | MYLK, CYP11B2, MYOC | P2RY4 1539/4885P2RY2 953/4885P2RY12 1469/4885 |
| US-20160243066-A1 | ANTHRAQUINONE COMPOUNDS AND THEIR USES | MYLK, MYLK2, MYH10 | P2RY4 1744/4885P2RY2 1113/4885P2RY12 1864/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.