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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 11/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 10/20 | 0.47 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.47 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.47 |
| ▸ | FGF1 known ✓ | P05230 | 3/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.76 |
| ▸ | GLA | P06280 | 1/20 | 0.76 |
| ▸ | HPGD | P15428 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.76 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.76 |
| ▸ | BLM | P54132 | 1/20 | 0.76 |
| ▸ | CA9 | Q16790 | 8/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2224281 | 1.00 | RECQL (0.76) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL6157674 | 1.00 | RECQL (0.76) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL6156736 | 1.00 | RECQL (0.76) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL2223575 | 1.00 | RECQL (0.76) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL28188949 | 1.00 | RECQL (0.76) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL7028510 | 1.00 | RECQL (0.76) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL7027886 | 1.00 | RECQL (0.76) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL2222562 | 0.97 | RECQL (0.70) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL6158912 | 0.97 | RECQL (0.70) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL2224532 | 0.97 | RECQL (0.70) | RECQLGLAHPGDTSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8933131-B2 | Intermediates and surfactants useful in household cleaning and personal care compositions, and methods of making the same | THE PROCTER & GAMBLE COMPANY (US) | 2015-01-13 | — | — | US | disclosed |
| EP-2523652-A1 | INTERMEDIATES AND SURFACTANTS USEFUL IN HOUSEHOLD CLEANING AND PERSONAL CARE COMPOSITIONS, AND METHODS OF MAKING THE SAME | The Procter & Gamble Company (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011088089-A1 | INTERMEDIATES AND SURFACTANTS USEFUL IN HOUSEHOLD CLEANING AND PERSONAL CARE COMPOSITIONS, AND METHODS OF MAKING THE SAME | THE PROCTER & GAMBLE COMPANY (US) | 2011-07-21 | — | — | WO | disclosed |
| US-20110171155-A1 | Intermediates And Surfactants useful In Household Cleaning And Personal Care Compositions, And Methods Of Making The Same | THE PROCTER & GAMBLE COMPANY | 2011-07-14 | — | — | 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 (1 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-20110171155-A1 | Intermediates And Surfactants useful In Household Cleaning And Personal Care Compositions, And Methods Of Making The Same | HACD2, DSG1, HACD3 | CA1 3872/4885CA2 3921/4885CA12 3801/4885 |
“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.