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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 known ✓ | Q9H244 | 7/20 | 0.54 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.54 |
| ▸ | P2RY4 known ✓ | P51582 | 10/20 | 0.51 |
| ▸ | P2RY2 known ✓ | P41231 | 8/20 | 0.48 |
| ▸ | P2RY6 known ✓ | Q15077 | 4/20 | 0.48 |
| ▸ | P2RY1 known ✓ | P47900 | 2/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | GNG2 | P59768 | 1/20 | 0.48 |
| ▸ | GNB1 | P62873 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL791041 | 0.89 | P2RY12 (0.61) | P2RY12ADORA2AP2RY4DHODHP2RY2 | |
| SCHEMBL791005 | 0.88 | P2RY12 (0.60) | P2RY12ADORA2AP2RY4DHODHP2RY2 | |
| SCHEMBL791007 | 0.88 | P2RY12 (0.60) | P2RY12ADORA2AP2RY4DHODHGNG2 | |
| SCHEMBL791375 | 0.82 | P2RY4 (0.75) | P2RY12P2RY4P2RY2P2RY6CDK2 | |
| SCHEMBL15371383 | 0.81 | P2RY4 (0.74) | P2RY12ADORA2AP2RY4P2RY2P2RY6 | |
| SCHEMBL791376 | 0.80 | P2RY4 (0.73) | P2RY12ADORA2AP2RY4P2RY2P2RY6 | |
| SCHEMBL3032273 | 0.78 | P2RY12 (0.87) | P2RY12P2RY4P2RY2P2RY6CDK2 | |
| Flufenamic Acid SCHEMBL11524550 | 0.77 | RXFP1 (0.71) | RXFP1ALDH1A1GAAMAPTRAB9A | |
| Flufenamic Acid SCHEMBL29438087 | 0.75 | RXFP1 (0.71) | RXFP1ALDH1A1GAAMAPTRAB9A | |
| Flufenamic Acid SCHEMBL9845498 | 0.75 | RXFP1 (0.71) | RXFP1ALDH1A1GAAMAPTRAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160243066-A1 | ANTHRAQUINONE COMPOUNDS AND THEIR USES | DUNDALK INSTITUTE OF TECHNOLOGY (IE) | 2016-08-25 | — | — | US | claimed |
| 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 | P2RY12 1469/4885ADORA2A 2425/4885P2RY4 1539/4885 |
| US-20160243066-A1 | ANTHRAQUINONE COMPOUNDS AND THEIR USES | MYLK, MYLK2, MYH10 | P2RY12 1864/4885ADORA2A 2678/4885P2RY4 1744/4885 |
“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.