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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | FABP3 | P05413 | 7/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1823613 | 1.00 | FFAR3 (0.37) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2232655 | 0.76 | — | — | |
| SCHEMBL1823617 | 0.76 | — | — | |
| SCHEMBL1823616 | 0.76 | — | — | |
| SCHEMBL5606250 | 0.76 | — | — | |
| SCHEMBL2852894 | 0.75 | — | — | |
| SCHEMBL11880295 | 0.74 | — | — | |
| SCHEMBL11880299 | 0.74 | — | — | |
| SCHEMBL17029651 | 0.74 | — | — | |
| SCHEMBL28004231 | 0.74 | MAPT (0.43) | LSS |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968223-B1 | BIOCONJUGATION OF MACROMOLECULES | SIGMA ALDRICH CO LLC (US) | 2016-12-21 | — | — | EP | disclosed |
| EP-2256133-B1 | Bioconjugation of macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-12-14 | — | — | EP | disclosed |
| EP-2319854-B1 | Bioconjugation Of Macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-11-30 | — | — | EP | disclosed |
| EP-2319855-B1 | Bioconjugation of Macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-04-06 | — | — | EP | disclosed |
| US-20150166596-A1 | Retro Diels Alder Reaction as a Cleavable Linker in DNA/RNA Applications | AGILENT TECHNOLOGIES, INC. | 2015-06-18 | — | — | US | disclosed |
| EP-2852667-A1 | RETRO DIELS ALDER REACTION AS A CLEAVABLE LINKER IN DNA/RNA APPLICATIONS | Agilent Technologies, Inc. (US) | 2015-04-01 | — | — | EP | disclosed |
| WO-2013176845-A1 | RETRO DIELS ALDER REACTION AS A CLEAVABLE LINKER IN DNA/RNA APPLICATIONS | AGILENT TECHNOLOGIES, INC. (US) | 2013-11-28 | — | — | WO | disclosed |
| EP-2319855-A1 | Bioconjugation of Macromolecules | Sigma-Aldrich Co. (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2319854-A1 | Bioconjugation Of Macromolecules | Sigma-Aldrich Co. (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2256133-A1 | Bioconjugation of macromolecules | Sigma-Aldrich Co. (US) | 2010-12-01 | — | — | EP | disclosed |
| EP-0968223-A1 | BIOCONJUGATION OF MACROMOLECULES | Proligo L.L.C. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998030575-A1 | BIOCONJUGATION OF MACROMOLECULES | PROLIGO LLC (US) | 1998-07-16 | — | — | 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 (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-20150166596-A1 | Retro Diels Alder Reaction as a Cleavable Linker in DNA/RNA Applications | DERA, RTCB, RNASEL | CA1 2224/4885FFAR3 3312/4885HDAC3 3994/4885 |
“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.