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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 14/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 14/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | UBE2N | P61088 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6692584 | 0.89 | OPRK1 (0.55) | OPRD1OPRK1OPRM1ALDH1A1 | |
| SCHEMBL6274651 | 0.89 | OPRK1 (0.55) | OPRD1OPRK1OPRM1ALDH1A1 | |
| SCHEMBL13060807 | 0.89 | OPRK1 (0.55) | OPRD1OPRK1OPRM1ALDH1A1 | |
| SCHEMBL11783725 | 0.88 | OPRK1 (0.54) | OPRD1OPRK1OPRM1ALDH1A1 | |
| Acetic Acid SCHEMBL10591922 | 0.81 | CPA3 (0.51) | OPRD1OPRK1OPRM1ALDH1A1NPC1 | |
| Acetic Acid SCHEMBL10591913 | 0.81 | CPA3 (0.51) | OPRD1OPRK1OPRM1ALDH1A1NPC1 | |
| SCHEMBL28008169 | 0.77 | CPA1 (0.55) | OPRD1OPRK1OPRM1MAPTALDH1A1 | |
| Acetic Acid SCHEMBL8163176 | 0.77 | CSNK1E (0.50) | OPRD1OPRK1OPRM1 | |
| SCHEMBL21314266 | 0.76 | OPRK1 (0.52) | OPRD1OPRK1OPRM1ALDH1A1LMNA | |
| SCHEMBL21314293 | 0.76 | OPRK1 (0.52) | OPRD1OPRK1OPRM1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005077377-A1 | COMPOSITIONS THAT INCLUDE A TRITERPENE AND A CARRIER | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2005-08-25 | — | — | WO | disclosed |
| WO-2004089357-A2 | ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2004-10-21 | — | — | WO | disclosed |