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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR3 known ✓ | P32745 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PPIA | P62937 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PPIF | P30405 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8006884 | 0.99 | ALDH1A1 (0.37) | ALDH1A1ACHEPPIASSTR3MEN1 | |
| Hydrochloric Acid SCHEMBL7768946 | 0.90 | DPP8 (0.38) | ALDH1A1ACHEPPIASSTR3MEN1 | |
| SCHEMBL2007479 | 0.87 | PPIA (0.43) | ALDH1A1ACHEPPIASSTR3MEN1 | |
| SCHEMBL8064963 | 0.86 | KMT2A (0.36) | ALDH1A1ACHEMEN1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL10946501 | 0.86 | ALDH1A1 (0.41) | ALDH1A1ACHEPPIASSTR3MEN1 | |
| SCHEMBL10689300 | 0.86 | CYP1A2 (0.37) | ALDH1A1MAPTLTA4HCTSL | |
| SCHEMBL5052608 | 0.85 | KMT2A (0.41) | ALDH1A1ACHEPPIASSTR3MEN1 | |
| SCHEMBL11016662 | 0.81 | PPIA (0.42) | ALDH1A1ACHEPPIASSTR3MEN1 | |
| SCHEMBL10689957 | 0.81 | LMNA (0.34) | MEN1MAPTKMT2AHTT | |
| SCHEMBL5052635 | 0.81 | PPIA (0.42) | ALDH1A1ACHEPPIASSTR3MEN1 |
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-5250418-A | Using a surface-active agent, an enzyme substrate and an aqueous salt solution having pH of 7 to 11; measurement of rate of fission of substrate | BOEHRINGER MANNHEIM GMBH (DE) | 1993-10-05 | — | — | US | disclosed |
| US-4514091-A | Container assembly for viscous test specimen materials | BOEHRINGER MANNHEIM GMBH (DE) | 1985-04-30 | — | — | US | disclosed |