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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 SCHEMBL4305539 | 1.00 | — | — | |
| Acetic Acid SCHEMBL1674890 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNSMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL8865239 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL5370932 | 0.96 | — | — | |
| Dioxane SCHEMBL29086945 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2LMNA | |
| Dioxane SCHEMBL575055 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2LMNA | |
| Dioxane SCHEMBL8100844 | 0.93 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2LMNA | |
| Dioxane SCHEMBL29064211 | 0.93 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2LMNA | |
| Dioxane SCHEMBL13835213 | 0.93 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL1704981 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3658548-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR | Arvinas Operations, Inc. (US) | 2020-06-03 | — | — | EP | disclosed |
| EP-3512842-A1 | INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS | Arvinas, Inc. (US) | 2019-07-24 | — | — | EP | disclosed |
| WO-2019023553-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR | Arvinas, Inc. (US) | 2019-01-31 | — | — | WO | disclosed |
| WO-2018053354-A1 | INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS | Arvinas, Inc. (US) | 2018-03-22 | — | — | WO | disclosed |