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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 SCHEMBL9097152 | 0.92 | FFAR3 (0.39) | ALDH1A1SMN1; SMN2FFAR3TSHRCYP2C19 | |
| Carbamic Acid SCHEMBL2480642 | 0.90 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2FFAR3TSHRCYP2C19 | |
| Carbamic Acid SCHEMBL28841417 | 0.87 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2FFAR3TSHRCYP2C19 | |
| Acetic Acid SCHEMBL9615701 | 0.84 | TSHR (0.37) | ALDH1A1SMN1; SMN2FFAR3TSHRCYP2C19 | |
| SCHEMBL24054976 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL9909079 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL853285 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL21120437 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL22448471 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL13122851 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603863-B1 | PROCESS FOR THE PREPARATION OF AMINO METHYL CYCLO ALKANE ACETIC ACIDS | HIKAL LTD (IN) | 2010-01-13 | — | — | EP | disclosed |
| US-7635717-B2 | Process for the preparation of amino methyl cyclo alkane acetic acids | HIKAL LIMITED (IN) | 2009-12-22 | — | — | US | disclosed |
| US-20060149099-A1 | Process for the preparation of amino methyl cyclo alkane acetic acids | HIKAL LIMITED | 2006-07-06 | — | — | US | disclosed |
| EP-1603863-A1 | PROCESS FOR THE PREPARATION OF AMINO METHYL CYCLO ALKANE ACETIC ACIDS | Hikal Ltd. (IN) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004046085-A1 | PROCESS FOR THE PREPARATION OF AMINO METHYL CYCLO ALKANE ACETIC ACIDS | HIKAL LTD. (IN) | 2004-06-03 | — | — | WO | disclosed |
| US-20040054041-A1 | NOVEL POLYMER BINDER SYSTEMS COMPRISING IONIC LIQUIDS | DEGUSSA AG (DE) | 2004-03-18 | — | — | 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-20060149099-A1 | Process for the preparation of amino methyl cyclo alkane acetic acids | GABRA1, GABRA6, ACMSD | ALDH1A1 366/4885SMN1; SMN2 1109/4885FFAR3 379/4885 |
“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.