Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Iodoacetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Iodoacetic Acid SCHEMBL3163447 | 1.00 | — | — | |
| Iodoacetic Acid SCHEMBL4989126 | 0.88 | — | — | |
| Iodoacetic Acid SCHEMBL55098 | 0.88 | — | — | |
| Iodoacetic Acid SCHEMBL23152180 | 0.84 | — | — | |
| Iodoacetic Acid SCHEMBL3178383 | 0.84 | — | — | |
| Iodoacetic Acid SCHEMBL13741086 | 0.84 | — | — | |
| Iodoacetic Acid SCHEMBL4359681 | 0.84 | — | — | |
| Iodoacetic Acid SCHEMBL1083193 | 0.84 | — | — | |
| Iodoacetic Acid SCHEMBL3904173 | 0.84 | — | — | |
| Iodoacetic Acid SCHEMBL6909839 | 0.84 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2515837-B1 | COMPOSITION FOR DYEING KERATIN FIBERS, INCLUDING AT LEAST ONE ORTHO-DIPHENOL DERIVATIVE, ONE PARTICULAR METAL DERIVATIVE, AND ONE ALKALINIZING AGENT | OREAL (FR) | 2018-11-07 | — | — | EP | claimed |
| WO-2012084473-A1 | PROCESS FOR DYEING KERATIN FIBRES USING RESORCINOL DERIVATIVES, SULFATE SALTS, AN OXIDIZING AGENT AND A BASIFYING AGENT | L'OREAL (FR) | 2012-06-28 | — | — | WO | claimed |
| WO-2011157666-A1 | COSMETIC USE OF A NATURAL EXTRACT DERIVED FROM BEETROOT PEEL FOR DYEING HAIR COMPOSITION COMPRISING THE EXTRACT, AN OXIDIZING AGENT, A BASIFYING AGENT AN OPTIONAL METALLIC DERIVATIVE | L'OREAL (FR) | 2011-12-22 | — | — | WO | claimed |
| WO-2017134132-A1 | USE OF POLYAMINE COMPOUNDS WITH AN ALIPHATIC LINKER IN THE PRESENCE OF OXIDIZING AGENTS FOR TREATING KERATIN FIBRES | L'OREAL (FR) | 2017-08-10 | — | — | WO | disclosed |
| WO-2017108696-A1 | USE OF PARTICULAR POLYAMINE COMPOUNDS IN THE PRESENCE OF OXIDIZING AGENTS FOR TREATING KERATIN FIBRES | L'OREAL (FR) | 2017-06-29 | — | — | WO | disclosed |
| WO-2017108551-A1 | HAIR DYEING PROCESS USING NATURAL DYE, OXIDIZING AGENT, FATTY SUBSTANCES AND SURFACTANTS, COMPOSITION AND KIT COMPRISING THE INGREDIENTS | L'OREAL (FR) | 2017-06-29 | — | — | WO | disclosed |
| US-8608808-B2 | Composition for dyeing keratin fibers, including at least one ortho-diphenol derivative, one particular metal derivative, and one alkalinizing agent | L'OREAL (FR) | 2013-12-17 | — | — | US | disclosed |
| US-20130139846-A1 | COMPOSITION FOR DYEING KERATIN FIBERS, INCLUDING AT LEAST ONE ORTHO-DIPHENOL DERIVATIVE, ONE PARTICULAR METAL DERIVATIVE, AND ONE ALKALINIZING AGENT | L'OREAL (FR) | 2013-06-06 | — | — | US | disclosed |
| WO-2012084472-A1 | PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT | L'OREAL (FR) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012084473-A1 | PROCESS FOR DYEING KERATIN FIBRES USING RESORCINOL DERIVATIVES, SULFATE SALTS, AN OXIDIZING AGENT AND A BASIFYING AGENT | L'OREAL (FR) | 2012-06-28 | — | — | WO | disclosed |
| WO-2011157666-A1 | COSMETIC USE OF A NATURAL EXTRACT DERIVED FROM BEETROOT PEEL FOR DYEING HAIR COMPOSITION COMPRISING THE EXTRACT, AN OXIDIZING AGENT, A BASIFYING AGENT AN OPTIONAL METALLIC DERIVATIVE | L'OREAL (FR) | 2011-12-22 | — | — | 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 (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-20130139846-A1 | COMPOSITION FOR DYEING KERATIN FIBERS, INCLUDING AT LEAST ONE ORTHO-DIPHENOL DERIVATIVE, ONE PARTICULAR METAL DERIVATIVE, AND ONE ALKALINIZING AGENT | KRT18, DSG1, DSC1 | FFAR3 3667/4885LCK 1039/4885FYN 759/4885 |
“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.