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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.50 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.52 |
| ▸ | PNMT | P11086 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL200716 | 0.91 | PNMT (0.58) | SIRT2PNMTADRA2ADRD2DRD4 | |
| Pivalate SCHEMBL27685970 | 0.90 | SIRT2 (0.49) | SIRT2PNMTADRA2ADRD2DRD4 | |
| Ammonia Solution, Strong SCHEMBL28209706 | 0.89 | PNMT (0.57) | SIRT2PNMTADRA2ADRD2DRD4 | |
| Methane SCHEMBL27508397 | 0.89 | PNMT (0.57) | SIRT2PNMTADRA2ADRD2DRD4 | |
| Sulfuric Acid SCHEMBL29269875 | 0.87 | PNMT (0.51) | SIRT2PNMTADRA2ADRD2DRD4 | |
| Butane SCHEMBL27459660 | 0.87 | PNMT (0.51) | SIRT2PNMTADRA2ADRD2DRD4 | |
| Acetaldehyde SCHEMBL27415337 | 0.87 | PNMT (0.51) | SIRT2PNMTADRA2ADRD2DRD4 | |
| SCHEMBL27408384 | 0.86 | PNMT (0.54) | SIRT2PNMTADRA2ADRD2DRD4 | |
| Toluene SCHEMBL27553169 | 0.86 | PNMT (0.48) | SIRT2PNMTADRA2ADRD2DRD4 | |
| SCHEMBL28171953 | 0.85 | SIRT2 (0.52) | SIRT2PNMTADRA2ADRD2DRD4 |
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-104447492-A | Method for synthesizing 5-nitro indoleacetic acid | UNIV CHANGZHOU | 2015-03-25 | — | — | CN | claimed |
| CN-104447492-A | Method for synthesizing 5-nitro indoleacetic acid | UNIV CHANGZHOU | 2015-03-25 | — | — | CN | disclosed |