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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | FABP4 | P15090 | 3/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.43 |
| ▸ | FABP3 | P05413 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | RORA | P35398 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 1/20 | 0.39 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL13212785 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL31240141 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL4381323 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL4378748 | 0.76 | KDM4E (0.50) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL3633093 | 0.71 | PSEN1 (0.48) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL13825878 | 0.69 | ALDH1A1 (0.56) | CYP1A2CYP2C19KDM4EFABP4FABP5 | |
| SCHEMBL14003754 | 0.68 | KDM4E (0.73) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL5134759 | 0.68 | CYP1A2 (1.00) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL9768532 | 0.68 | CYP1A2 (0.70) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 | |
| SCHEMBL25193015 | 0.67 | FABP4 (0.55) | CYP1A2CYP2C19KDM4ECYP19A1FABP4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2522394-B1 | Substituted phosphonates and their use decreasing amyloid aggregates | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2016-12-28 | — | — | EP | disclosed |
| US-8513219-B2 | Substituted phosphonates and their use in decreasing amyloid aggregates | QUEEN MARY & WESTFIELD COLLEGE, UNIVERSITY OF LONDON (GB) | 2013-08-20 | — | — | US | disclosed |
| EP-2522394-A2 | Substituted phosphonates and their use decreasing amyloid aggregates | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2012-11-14 | — | — | EP | disclosed |
| US-20100204183-A1 | Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2010-08-12 | — | — | US | disclosed |
| EP-2152368-A1 | SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES | Queen Mary and Westfield College (GB) | 2010-02-17 | — | — | EP | disclosed |
| US-7629379-B2 | Substituted phosphonate fluorescent sensors and use thereof | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2009-12-08 | — | — | US | disclosed |
| WO-2008135743-A1 | SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES | QUEEN MARY AND WESTFIELD COLLEGE (GB) | 2008-11-13 | — | — | WO | disclosed |
| US-20070049761-A1 | Substituted phosphonate fluorescent sensors and use thereof | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2007-03-01 | — | — | US | 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-20070049761-A1 | Substituted phosphonate fluorescent sensors and use thereof | NR2E3, CASR, NR3C2 | CYP1A2 3952/4885CYP2C19 4326/4885KDM4E 4496/4885 |
| US-20100204183-A1 | Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates | PSEN2, PSEN1, APP | CYP1A2 4808/4885CYP2C19 4871/4885KDM4E 4149/4885 |
“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.