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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | VDR | P11473 | 9/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.41 |
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 Methyl Ester SCHEMBL3389812 | 0.95 | HDAC6 (0.47) | HDAC6HDAC3HDAC1VDRAR | |
| Acetic Acid SCHEMBL3388905 | 0.94 | HDAC6 (0.46) | HDAC6HDAC3HDAC1VDRAR | |
| Acetic Acid SCHEMBL3391257 | 0.89 | HDAC6 (0.55) | HDAC6HDAC3HDAC1VDRAR | |
| Acetic Acid Methyl Ester SCHEMBL3389823 | 0.89 | HDAC6 (0.47) | HDAC6HDAC3HDAC1VDRAR | |
| SCHEMBL4421979 | 0.85 | HDAC6 (0.46) | HDAC6HDAC3HDAC1VDRAR | |
| Acetic Acid Methyl Ester SCHEMBL3392982 | 0.84 | HDAC6 (0.56) | HDAC6HDAC3HDAC1VDRAR | |
| SCHEMBL3391026 | 0.83 | HDAC6 (0.50) | HDAC6HDAC3HDAC1VDRAR | |
| SCHEMBL3389811 | 0.83 | HDAC6 (0.46) | HDAC6HDAC3HDAC1VDRAR | |
| SCHEMBL3392738 | 0.80 | HDAC6 (0.51) | HDAC6HDAC3HDAC1VDRAR | |
| SCHEMBL13672905 | 0.80 | HDAC6 (0.46) | HDAC6HDAC3HDAC1VDRAR |
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-7601850-B2 | less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis | ELI LILLY AND COMPANY (US) | 2009-10-13 | — | — | US | disclosed |
| EP-1511740-B1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | LILLY CO ELI (US) | 2009-07-08 | — | — | EP | disclosed |
| US-20060287536-A1 | Phenyl-thiophene type vitamin d receptor modulators | ELI LILLY AND COMPANY | 2006-12-21 | — | — | US | disclosed |
| EP-1511740-A1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-03-09 | — | — | EP | disclosed |
| WO-2003101978-A1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2003-12-11 | — | — | 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-20060287536-A1 | Phenyl-thiophene type vitamin d receptor modulators | VDR, CYP2R1, CYP24A1 | HDAC6 4626/4885HDAC3 2229/4885HDAC1 2621/4885 |
“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.