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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8353674 | 0.97 | MAPT (0.61) | MAPTSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL8350094 | 0.90 | POLB (0.59) | MAPTLMNAPOLBALDH1A1TSHR | |
| SCHEMBL8350048 | 0.88 | SMN1; SMN2 (0.59) | MAPTSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL8351239 | 0.88 | MAPK1 (0.63) | MAPTSMN1; SMN2LMNAALDH1A1TSHR | |
| SCHEMBL8353740 | 0.88 | ALDH1A1 (0.53) | MAPTSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL8358497 | 0.87 | GAA (0.56) | MAPTSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL8357900 | 0.86 | MAPT (0.55) | MAPTLMNAPOLBALDH1A1TSHR | |
| SCHEMBL8350476 | 0.85 | ALDH1A1 (0.63) | MAPTLMNAPOLBALDH1A1TSHR | |
| SCHEMBL8350645 | 0.84 | MAPT (0.52) | MAPTSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL8357958 | 0.83 | MAPT (0.51) | MAPTSMN1; SMN2LMNAPOLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999031096-A1 | PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS | SHAMAN PHARMACEUTICALS, INC. (US) | 1999-06-24 | — | — | WO | disclosed |