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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KLK7 | P49862 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12954639 | 0.87 | MEN1 (0.46) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL14029679 | 0.85 | MEN1 (0.48) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL4852254 | 0.84 | MEN1 (0.44) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL1024020 | 0.84 | MEN1 (0.44) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL4880354 | 0.83 | MEN1 (0.47) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL1023756 | 0.80 | MEN1 (0.39) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL4850324 | 0.79 | MEN1 (0.43) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL1025324 | 0.79 | MEN1 (0.43) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL14003851 | 0.79 | MEN1 (0.46) | MEN1KMT2AGAACA1CA2 | |
| SCHEMBL1024059 | 0.79 | MEN1 (0.45) | MEN1KMT2AGAACA1CA2 |
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 | MEN1 2081/4885KMT2A 3059/4885GAA 342/4885 |
“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.