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 | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 2/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL27709287 | 0.91 | ATM (0.41) | ATMALDH1A1SMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL176982 | 0.91 | ALDH1A1 (0.41) | ATMALDH1A1SMN1; SMN2MEN1KMT2A | |
| Acetic Acid SCHEMBL27805392 | 0.91 | ATM (0.38) | ATMALDH1A1SMN1; SMN2HTTMEN1 | |
| SCHEMBL38002 | 0.89 | ALDH1A1 (0.42) | ATMALDH1A1SMN1; SMN2MEN1KMT2A | |
| Alcohol SCHEMBL27523839 | 0.87 | ALDH1A1 (0.40) | ATMALDH1A1SMN1; SMN2MEN1KMT2A | |
| Formaldehyde SCHEMBL2941056 | 0.86 | ALDH1A1 (0.40) | ATMALDH1A1SMN1; SMN2MEN1KMT2A | |
| Phosphoric Acid SCHEMBL27824259 | 0.85 | ALDH1A1 (0.37) | ATMALDH1A1SMN1; SMN2HTTMEN1 | |
| Acetaldehyde SCHEMBL1704750 | 0.85 | ALDH1A1 (0.37) | ATMALDH1A1SMN1; SMN2MEN1KMT2A | |
| Sulfuric Acid SCHEMBL8936551 | 0.85 | MEN1 (0.38) | ATMALDH1A1SMN1; SMN2MEN1KMT2A | |
| Acetonitrile SCHEMBL1262524 | 0.83 | ALDH1A1 (0.36) | ATMALDH1A1SMN1; SMN2MEN1KMT2A |
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-1999021006-A9 | PHARMACEUTICAL GRADE VALERIAN, BLACK COHOSH, VITEX AGNUS-CASTUS, BILBERRY AND MILK THISTLE | PHARMAPRINT INC (US) | 1999-07-08 | — | — | WO | disclosed |
| WO-1999021006-A1 | PHARMACEUTICAL GRADE VALERIAN, BLACK COHOSH, VITEX AGNUS-CASTUS, BILBERRY AND MILK THISTLE | PHARMAPRINT, INC. (US) | 1999-04-29 | — | — | WO | disclosed |