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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5265226 | 1.00 | CA1 (0.61) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL23930215 | 0.92 | — | — | |
| Acetic Acid SCHEMBL28460096 | 0.92 | CA1 (0.61) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL7960655 | 0.92 | — | — | |
| Acetic Acid SCHEMBL6356170 | 0.85 | CA1 (0.61) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL1142260 | 0.85 | CA1 (0.61) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL28275679 | 0.85 | CA1 (0.61) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL3805081 | 0.83 | CA1 (0.89) | CA1FFAR3CA4ALDH1A1TDP1 | |
| Acetic Acid SCHEMBL3432478 | 0.83 | CA1 (0.89) | CA1FFAR3CA4ALDH1A1TDP1 | |
| Acetic Acid SCHEMBL711 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1836151-A2 | VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006069153-A2 | VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2006-06-29 | — | — | WO | disclosed |