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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
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 SCHEMBL2827965 | 0.95 | TDP1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL6847761 | 0.92 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL5762920 | 0.90 | TDP1 (0.46) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL1588800 | 0.90 | TDP1 (0.46) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetone SCHEMBL290188 | 0.86 | TDP1 (0.46) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Bicarbonate SCHEMBL7424110 | 0.86 | HDAC1 (0.52) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Bicarbonate SCHEMBL14245001 | 0.86 | HDAC1 (0.52) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Bicarbonate SCHEMBL9490608 | 0.86 | HDAC1 (0.52) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Methacrylic Acid SCHEMBL31589114 | 0.85 | TDP1 (0.42) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Bicarbonate SCHEMBL28420339 | 0.83 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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-7598386-B2 | Sulphones which modulate the action of gamma-secretase | MERCK SHARP & DOHME LIMITED (GB) | 2009-10-06 | — | — | US | disclosed |
| US-20070213329-A1 | Sulphones which modulate the action of gammasecretase | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2007-09-13 | — | — | 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-20070213329-A1 | Sulphones which modulate the action of gammasecretase | BACE1, PSEN1, BACE2 | TDP1 1567/4885CHRM1 922/4885AKR1A1 2352/4885 |
“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.