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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 3/20 | 0.33 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2524389 | 0.85 | GNAI3 (0.40) | CHRM2CHRM1CHRM3GNAI3GNAO1 | |
| Acetic Acid SCHEMBL30330668 | 0.71 | LMNA (0.58) | CES2CES1GNAI3GNAO1GNAI1 | |
| Acetic Acid SCHEMBL30212941 | 0.71 | LMNA (0.39) | CES2CES1APOBEC3AAPOBEC3GCA2 | |
| Acetic Acid SCHEMBL29252243 | 0.71 | LMNA (0.58) | CES2CES1GNAI3GNAO1GNAI1 | |
| Acetic Acid SCHEMBL30330754 | 0.71 | LMNA (0.39) | CES2CES1APOBEC3AAPOBEC3GCA2 | |
| Acetic Acid SCHEMBL30329921 | 0.71 | LMNA (0.58) | CES2CES1GNAI3GNAO1GNAI1 | |
| Acetic Acid SCHEMBL29252268 | 0.71 | LMNA (0.58) | CES2CES1GNAI3GNAO1GNAI1 | |
| Acetic Acid SCHEMBL30212789 | 0.71 | LMNA (0.39) | CES2CES1APOBEC3AAPOBEC3GCA2 | |
| Acetic Acid SCHEMBL30330267 | 0.71 | LMNA (0.39) | CES2CES1APOBEC3AAPOBEC3GCA2 | |
| Bromide SCHEMBL22788428 | 0.70 | TSHR (0.44) | GNAI3GNAO1GNAI1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7199252-B2 | Process for α,β-dihydroxyalkenes and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2007-04-03 | — | — | US | disclosed |
| US-7002049-B2 | Process for α,β-dihydroxyalkenes and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2006-02-21 | — | — | US | disclosed |
| US-20060030742-A1 | Process for alpha,beta-dihydroxyalkenes and derivatives | HEMBRE ROBERT T | 2006-02-09 | — | — | US | disclosed |
| US-20040044229-A1 | Process for alpha,beta-dihydroxyalkenes and derivatives | HEMBRE ROBERT THOMAS (US) | 2004-03-04 | — | — | 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 (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-20040044229-A1 | Process for alpha,beta-dihydroxyalkenes and derivatives | CYP8B1, EBP, DEGS1 | CES2 355/4885CES1 274/4885CHRM2 1263/4885 |
| US-20060030742-A1 | Process for alpha,beta-dihydroxyalkenes and derivatives | CYP8B1, EBP, DHCR24 | CES2 374/4885CES1 207/4885CHRM2 1432/4885 |
“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.