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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8360659 | 0.96 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL4098148 | 0.96 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL5317265 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL10825002 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL1230601 | 0.84 | FFAR3 (0.33) | ALDH1A1TDP1FFAR3 | |
| SCHEMBL9245453 | 0.84 | ALDH1A1 (0.36) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL7522645 | 0.84 | ALDH1A1 (0.36) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL9245461 | 0.83 | GRIK1 (0.33) | ALDH1A1TDP1FFAR3 | |
| SCHEMBL5167976 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL17181554 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438637-A | A kind of synthesis and its application of polymer | 东莞东阳光科研发有限公司 | 2019-03-08 | — | — | CN | disclosed |