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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1660192 | 0.92 | MAPT (0.43) | KDM4ESMN1; SMN2NPC1ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL2002633 | 0.91 | MAPT (0.43) | KDM4ESMN1; SMN2NPC1ADRA2AADRA2B | |
| SCHEMBL4303130 | 0.81 | NPC1 (0.43) | KDM4ENPC1NEU3ADRA2AADRA2B | |
| SCHEMBL4304097 | 0.80 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1AMAPT | |
| SCHEMBL18088741 | 0.80 | ADRA2A (0.45) | KDM4ESMN1; SMN2NPC1ADRA2AADRA2B | |
| SCHEMBL1377373 | 0.79 | KDM4E (0.48) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL1379619 | 0.78 | ADRA2A (0.46) | NPC1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL2760277 | 0.78 | MAPT (0.55) | KDM4ESMN1; SMN2NPC1ADRA2AADRA2B | |
| SCHEMBL2006924 | 0.75 | CSNK2A1 (0.42) | KDM4ESMN1; SMN2ADRA2AADRA2BADRA2C | |
| SCHEMBL1659054 | 0.75 | TRPV1 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080227995-A1 | Process of Sulfonating 4-Aminobenzonitriles | SCHWARZ PHARMA AG (DE) | 2008-09-18 | — | — | US | disclosed |
| EP-1910280-A2 | PROCESS OF SULFONATING 4-AMINOBENZONITRILES | SCHWARZ PHARMA AG (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007009798-A2 | PROCESS OF SULFONATING 4-AMINOBENZONITRILES | SCHWARZ PHARMA AG (DE) | 2007-01-25 | — | — | WO | 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-20080227995-A1 | Process of Sulfonating 4-Aminobenzonitriles | STS, ARSA, CYP2S1 | ADRA2A 2971/4885ADRA2B 1779/4885ADRA2C 2052/4885 |
“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.