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 | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 1/20 | 0.46 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.46 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.45 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.41 |
| ▸ | EPOR | P19235 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1024723 | 0.98 | CPB1 (0.47) | CPB1CPB2DPP8DPP7SLC1A3 | |
| SCHEMBL4856705 | 0.84 | SYK (0.48) | DPP8DPP7SLC1A3SLC1A1FOLH1 | |
| SCHEMBL1023223 | 0.81 | HTT (0.46) | CPB1CPB2DPP8DPP7SLC1A3 | |
| Hydrochloric Acid SCHEMBL4848974 | 0.80 | HTT (0.46) | CPB1CPB2DPP8DPP7SLC1A3 | |
| Acetic Acid SCHEMBL4881411 | 0.80 | CPB1 (0.52) | CPB1CPB2DPP8DPP7SLC1A3 | |
| SCHEMBL20480544 | 0.76 | SMN1; SMN2 (0.50) | DPP8DPP7SLC1A3SLC1A1HTT | |
| SCHEMBL4850916 | 0.75 | SYK (0.52) | DPP8DPP7SLC1A3SLC1A1FOLH1 | |
| SCHEMBL22115987 | 0.73 | SMN1; SMN2 (0.50) | DPP8DPP7SLC1A3SLC1A1FOLH1 | |
| SCHEMBL1024135 | 0.72 | CTSS (0.41) | — | |
| SCHEMBL20480044 | 0.72 | SMN1; SMN2 (0.51) | SLC1A3SLC1A1MAPTHTTSMN1; 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-7446102-B2 | Antibacterial amide macrocycles IV | AICURIS GMBH & CO. KG (DE) | 2008-11-04 | — | — | US | disclosed |
| US-20080076745-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO. KG (DE) | 2008-03-27 | — | — | 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-20080076745-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | NOD2, AAAS, AADAC | CPB1 2819/4885CPB2 2025/4885DPP8 435/4885 |
“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.