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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 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 SCHEMBL3925485 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL30830 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL8437478 | 0.96 | — | — | |
| Acetic Acid SCHEMBL7849408 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL23358714 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL1527600 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL11309514 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL11441619 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL9183783 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTDP1LMNA | |
| Acetic Acid SCHEMBL157959 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6307372-B1 | Methods for high throughput chemical screening using magnetic resonance imaging | GLAXO WELLCOME, INC. | 2001-10-23 | — | — | US | claimed |
| US-6307372-B1 | Methods for high throughput chemical screening using magnetic resonance imaging | GLAXO WELLCOME, INC. | 2001-10-23 | — | — | US | disclosed |