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 | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.32 |
| ▸ | ABCC2 | Q92887 | 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 | |
|---|---|---|---|---|
| SCHEMBL320326 | 0.89 | HRH3 (0.46) | HRH3ALDH1A1TSHRHSD17B10DRD2 | |
| Acetic Acid SCHEMBL321021 | 0.89 | NPSR1 (0.41) | CA12CA9ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL321327 | 0.77 | MAPT (0.47) | HRH3ALDH1A1SMN1; SMN2KDM4EDRD2 | |
| Acetic Acid SCHEMBL5571031 | 0.75 | CA12 (0.48) | HRH3CA12CA2CA9TP53 | |
| SCHEMBL320642 | 0.71 | — | — | |
| Acetic Acid SCHEMBL5571119 | 0.71 | CA12 (0.44) | CA12CA2CA9ALDH1A1SMN1; SMN2 | |
| Bicarbonate SCHEMBL5875232 | 0.67 | CA12 (0.50) | HRH3CA12CA2CA9TP53 | |
| Bicarbonate SCHEMBL5875239 | 0.67 | CA12 (0.50) | HRH3CA12CA2CA9TP53 | |
| Pyruvate SCHEMBL21145135 | 0.66 | CA12 (0.44) | CA12CA2CA9ALDH1A1SMN1; SMN2 | |
| SCHEMBL1636569 | 0.65 | HRH3 (0.60) | HRH3RORCCA12CA2CA9 |
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-2173691-B1 | METHODS OF INHIBITING ETHYLENE RESPONSES IN PLANTS USING CYCLOPROPENE AMINE COMPOUNDS | UNIV NORTH CAROLINA STATE (US) | 2013-11-13 | — | — | EP | disclosed |
| US-20130137575-A1 | CYCLOPROPENE AMINE COMPOUNDS | NORTH CAROLINA STATE UNIVERSITY (US) | 2013-05-30 | — | — | US | disclosed |
| US-8329954-B2 | Cyclopropene amine compounds | NORTH CAROLINA STATE UNIVERSITY (US) | 2012-12-11 | — | — | US | disclosed |
| US-20120035269-A1 | CYCLOPROPENE AMINE COMPOUNDS | SISLER EDWARD C (US) | 2012-02-09 | — | — | US | disclosed |
| US-8093430-B2 | Methods of inhibiting ethylene responses in plants using cyclopropene amine compounds | NORTH CAROLINA STATE UNIVERSITY (US) | 2012-01-10 | — | — | US | disclosed |
| US-20090124504-A1 | METHODS OF INHIBITING ETHYLENE RESPONSES IN PLANTS USING CYCLOPROPENE AMINE COMPOUNDS | NORTH CAROLINA STATE UNIVERSITY | 2009-05-14 | — | — | 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 (3 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-20120035269-A1 | CYCLOPROPENE AMINE COMPOUNDS | PNMT, EDNRB, CNR1 | HRH3 22/4885RORC 4057/4885CA12 4095/4885 |
| US-20130137575-A1 | CYCLOPROPENE AMINE COMPOUNDS | PNMT, EDNRB, CNR1 | HRH3 22/4885RORC 4057/4885CA12 4095/4885 |
| US-20090124504-A1 | METHODS OF INHIBITING ETHYLENE RESPONSES IN PLANTS USING CYCLOPROPENE AMINE COMPOUNDS | EDNRB, EDNRA, ECE1 | HRH3 56/4885RORC 4354/4885CA12 3711/4885 |
“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.