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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | DTYMK | P23919 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 2/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetamide SCHEMBL27471592 | 0.91 | MAPT (0.45) | TSHRCASP6MAPTTDP1ALDH1A1 | |
| Benzoic Acid SCHEMBL27952512 | 0.83 | TSHR (0.48) | TSHRCASP6TDP1ALDH1A1HCAR3 | |
| Formic Acid SCHEMBL11149679 | 0.82 | MAPT (0.47) | TSHRCASP6MAPTTDP1ALDH1A1 | |
| SCHEMBL29230024 | 0.79 | TSHR (0.47) | TSHRCASP6TDP1ALDH1A1CYP3A4 | |
| Chlorobenzene SCHEMBL10685616 | 0.78 | TDP1 (0.52) | TSHRMAPTTDP1ALDH1A1CRHBP | |
| SCHEMBL27725220 | 0.78 | AKR1C3 (0.51) | MAPTALDH1A1MEN1POLBKMT2A | |
| SCHEMBL17742439 | 0.77 | TDP1 (0.66) | CASP6MAPTTDP1ALDH1A1CYP3A4 | |
| SCHEMBL9679961 | 0.74 | TSHR (0.40) | TSHRCASP6MAPTTDP1ALDH1A1 | |
| SCHEMBL1100207 | 0.74 | ACHE (0.53) | TSHRMAPTTDP1ALDH1A1CYP3A4 | |
| SCHEMBL28666971 | 0.73 | ALDH1A1 (0.50) | CASP6MAPTTDP1ALDH1A1CRHBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2091933-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | Wyeth (US) | 2009-08-26 | — | — | EP | disclosed |
| US-20080153873-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-26 | — | — | US | disclosed |
| WO-2008073943-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-19 | — | — | 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-20080153873-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | DBH, SLC6A3, SLC6A4 | TSHR 4767/4885CASP6 3463/4885MAPT 276/4885 |
“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.