Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL27363994 | 0.89 | MMP1 (0.40) | MMP1MMP2MMP3MMP9KDM4C | |
| SCHEMBL368477 | 0.86 | — | — | |
| Acetic Acid SCHEMBL4605639 | 0.85 | EPHX1 (0.47) | MMP2EPHX1ALOX15KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL1098135 | 0.84 | — | — | |
| Bromide SCHEMBL28821485 | 0.84 | — | — | |
| Bicarbonate SCHEMBL27363992 | 0.83 | MMP1 (0.39) | MMP1MMP2MMP3MMP9KDM4C | |
| Dodine SCHEMBL9055972 | 0.82 | EPHX1 (0.55) | EPHX1KMT2AMEN1CYP1A2SMN1; SMN2 | |
| Dodine SCHEMBL9766434 | 0.82 | EPHX1 (0.55) | EPHX1KMT2AMEN1CYP1A2SMN1; SMN2 | |
| Acetic Acid SCHEMBL2905199 | 0.82 | EPHX1 (0.55) | EPHX1KMT2AMEN1CYP1A2SMN1; SMN2 | |
| Acetic Acid SCHEMBL2905260 | 0.82 | EPHX1 (0.55) | EPHX1KMT2AMEN1CYP1A2SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7825207-B2 | Siloxanes containing guanidino groups and use thereof for cosmetic formulations | GOLDSCHMIDT GMBH (DE) | 2010-11-02 | — | — | US | disclosed |
| US-20060188455-A1 | Siloxanes containing guanidino groups and use thereof for cosmetic formulations | EVONIK DEGUSSA GMBH (DE) | 2006-08-24 | — | — | 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-20060188455-A1 | Siloxanes containing guanidino groups and use thereof for cosmetic formulations | UNG, GMPS, GLA | MMP1 1013/4885MMP2 1047/4885MMP3 2032/4885 |
“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.