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 | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA6 | P23280 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA5A | P35218 | 3/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CASP2 | P42575 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL852246 | 0.94 | PAOX (0.54) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL28839058 | 0.94 | PAOX (0.54) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL28262529 | 0.91 | PAOX (0.52) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL10959642 | 0.87 | ALOX15 (0.50) | PAOXCA12CA6CA7CA9 | |
| Bicarbonate SCHEMBL5085155 | 0.87 | CA12 (0.50) | PAOXCA12CA6CA7CA9 | |
| SCHEMBL239758 | 0.87 | CA12 (0.67) | PAOXCA12CA6CA7CA9 | |
| SCHEMBL10937062 | 0.87 | CA12 (0.67) | PAOXCA12CA6CA7CA9 | |
| Trientine SCHEMBL10875300 | 0.87 | CA12 (0.61) | PAOXCA12CA6CA7CA9 | |
| Trientine SCHEMBL6053124 | 0.87 | CA12 (0.61) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL20531236 | 0.87 | CA12 (0.61) | PAOXCA12CA6CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855309-B2 | For use in diagnostics and therapy | SCHERING, AG (DE) | 2005-02-15 | — | — | US | disclosed |
| US-20030232017-A1 | For use in diagnostics and therapy | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2003-12-18 | — | — | US | disclosed |
| US-6576222-B2 | Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-06-10 | — | — | US | disclosed |
| US-20020068037-A1 | Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease | SCHERING AG (DE) | 2002-06-06 | — | — | US | disclosed |
| US-5284647-A | Administering for magnetic resonance imaging | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-02-08 | — | — | 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 (2 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-20020068037-A1 | Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease | CAD, APOB, SLC7A1 | PAOX 972/4885CA12 41/4885CA6 164/4885 |
| US-20030232017-A1 | For use in diagnostics and therapy | TFPI, BCAT2, OAT | PAOX 3030/4885CA12 9/4885CA6 131/4885 |
“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.