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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | USP7 | Q93009 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL397345 | 0.89 | PDE7A (0.56) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| Acetic Acid SCHEMBL8213274 | 0.81 | MAPT (0.67) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| Acetic Acid SCHEMBL27721273 | 0.81 | HSD17B10 (0.58) | MAPTALDH1A1MEN1KMT2ANPSR1 | |
| Acetic Acid SCHEMBL28846418 | 0.79 | HSD17B10 (0.56) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| Acetic Acid SCHEMBL11038126 | 0.77 | VCAM1 (0.54) | MAPTALDH1A1MEN1KMT2AGAA | |
| SCHEMBL21444974 | 0.77 | MAPT (0.54) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL13930090 | 0.76 | SLC6A2 (0.50) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3384869 | 0.75 | PDE7A (0.58) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL27588890 | 0.75 | HSD17B10 (0.56) | MAPTALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL17033348 | 0.75 | SLC6A2 (0.49) | MAPTKDM4EALDH1A1MEN1KMT2A |
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-7408023-B2 | Peptoids incorporating chemoselective functionalities | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-08-05 | — | — | US | disclosed |
| US-20060188916-A1 | Peptoids incorporating chemoselective functionalities | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2006-08-24 | — | — | US | disclosed |
| US-7030216-B2 | Peptoids incorporating chemoselective functionalities | CHIRON CORPORATION (US) | 2006-04-18 | — | — | US | disclosed |
| US-20020169281-A1 | Peptoids incorporating chemoselective functionalities | CHIRON CORPORATION | 2002-11-14 | — | — | US | disclosed |
| WO-2002081637-A2 | PEPTIDES INCORPORATING CHEMOSELECTIVE FUNCTIONALITIES | CHIRON CORPORATION (US) | 2002-10-17 | — | — | 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 (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-20060188916-A1 | Peptoids incorporating chemoselective functionalities | VIP, PCNA, DNPEP | MAPT 4627/4885KDM4E 4243/4885ALDH1A1 4264/4885 |
| US-20020169281-A1 | Peptoids incorporating chemoselective functionalities | VIP, PCNA, DNPEP | MAPT 4627/4885KDM4E 4243/4885ALDH1A1 4264/4885 |
“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.