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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 SCHEMBL8027581 | 1.00 | PKM (0.47) | PKMKDM4ETHRBHTTALDH1A1 | |
| SCHEMBL8854354 | 0.77 | PKM (0.44) | PKMKDM4ETHRBHTTALDH1A1 | |
| Acetic Acid SCHEMBL8522617 | 0.77 | OR51E2 (0.33) | — | |
| Acetic Acid SCHEMBL720227 | 0.74 | PKM (0.41) | PKMKDM4ETHRBHTTALDH1A1 | |
| Acetic Acid SCHEMBL1949358 | 0.73 | PKM (0.40) | PKMKDM4ETHRBHTTALDH1A1 | |
| Acetic Acid SCHEMBL17005444 | 0.73 | PKM (0.40) | PKMKDM4ETHRBHTTALDH1A1 | |
| Acetic Acid SCHEMBL3804389 | 0.73 | PKM (0.40) | PKMKDM4ETHRBHTTALDH1A1 | |
| Acetic Acid SCHEMBL1627225 | 0.72 | PKM (0.52) | PKMKDM4ETHRBHTTALDH1A1 | |
| Acetic Acid SCHEMBL2874562 | 0.72 | PKM (0.52) | PKMKDM4ETHRBHTTALDH1A1 | |
| Acetic Acid SCHEMBL9778642 | 0.72 | PKM (0.52) | PKMKDM4ETHRBHTTALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090163480-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | DR. KARL THOMAE GMBH (DE) | 2009-06-25 | — | — | US | disclosed |
| US-7498325-B2 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | KARL THOMAS GMBH (DE) | 2009-03-03 | — | — | US | disclosed |
| US-20040214819-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | DR. KARL THOMAE GMBH (DE) | 2004-10-28 | — | — | US | disclosed |
| CN-1129605-C | Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. | THOMAE GMBH DR K (DE) | 2003-12-03 | — | — | CN | disclosed |
| US-20030069231-A1 | Modified aminoacids, pharmaceuticals containing these compounds and method for their production | RUDOLF KLAUS (DE) | 2003-04-10 | — | — | US | disclosed |
| CN-1093861-C | 1-methylcarbapenem derivatives | SANKYO CO (JP) | 2002-11-06 | — | — | CN | disclosed |
| US-6344449-B1 | HEADACHE AND MORPHINE DEPENDENCE | DR. KARL THOMAE GMBH (DE) | 2002-02-05 | — | — | US | disclosed |
| US-20010036946-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | RUDOLF KLAUS (DE) | 2001-11-01 | — | — | US | disclosed |
| US-5977097-A | 1-methylcarbapenem derivatives | SANKYO COMPANY LIMITED (JP) | 1999-11-02 | — | — | US | disclosed |
| CN-1230196-A | Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. | THOMAE GMBH DR K (DE) | 1999-09-29 | — | — | CN | disclosed |
| EP-0900797-A1 | 1-METHYLCARBAPENEM DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1999-03-10 | — | — | EP | disclosed |
| US-5763191-A | BINDING MATRIX | BOEHRINGER MANNHEIM GMBH (DE) | 1998-06-09 | — | — | 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 (4 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-20090163480-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | PTMS, CHRM1, SRMS | PKM 821/4885KDM4E 2890/4885THRB 350/4885 |
| US-20040214819-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | PTMS, SRMS, OPRM1 | PKM 640/4885KDM4E 2891/4885THRB 447/4885 |
| US-20030069231-A1 | Modified aminoacids, pharmaceuticals containing these compounds and method for their production | SLC1A5, NEFM, SRMS | PKM 625/4885KDM4E 2928/4885THRB 424/4885 |
| US-20010036946-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | PTMS, SRMS, OPRM1 | PKM 640/4885KDM4E 2891/4885THRB 447/4885 |
“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.