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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | 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 SCHEMBL87553 | 1.00 | FFAR3 (0.50) | FFAR3LCKFYNTSHRTP53 | |
| Acetic Acid SCHEMBL8835007 | 0.97 | FFAR3 (0.47) | FFAR3LCKFYNTSHRTP53 | |
| Acetic Acid SCHEMBL8834547 | 0.97 | FFAR3 (0.47) | FFAR3LCKFYNTSHRTP53 | |
| Acetic Acid SCHEMBL8834833 | 0.91 | FFAR3 (0.41) | FFAR3LCKFYNTSHRTP53 | |
| Bicarbonate SCHEMBL28488934 | 0.89 | TSHR (0.42) | FFAR3LCKFYNTSHRTP53 | |
| Acetone SCHEMBL48978 | 0.89 | TSHR (0.50) | FFAR3LCKFYNTSHRTP53 | |
| Acetic Acid SCHEMBL7044569 | 0.88 | TSHR (0.39) | FFAR3LCKFYNTSHRTP53 | |
| Acetone SCHEMBL28124568 | 0.86 | TSHR (0.47) | FFAR3LCKFYNTSHRTP53 | |
| Acetone SCHEMBL2748125 | 0.86 | TSHR (0.47) | FFAR3LCKFYNTSHRTP53 | |
| Acetone SCHEMBL29032239 | 0.86 | TSHR (0.47) | FFAR3LCKFYNTSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106536531-B | Organic-inorganic hybrid perovskite compound, method for preparing same, and solar cell comprising same | 株式会社LG化学 | 2019-04-09 | — | — | CN | disclosed |
| CN-1106663-A | Thienopyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-08-16 | — | — | CN | disclosed |