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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL320127 | 0.87 | CA1 (0.40) | CA1MEN1LMNAKMT2ACYP3A4 | |
| Bicarbonate SCHEMBL15796120 | 0.85 | MEN1 (0.32) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Oxalic Acid SCHEMBL15796398 | 0.82 | CA4 (0.39) | CA1MEN1LMNAKMT2ACYP3A4 | |
| Bicarbonate SCHEMBL8857005 | 0.81 | SLC22A1 (0.50) | DNM1BBOX1 | |
| Acetic Acid SCHEMBL10930844 | 0.81 | CA1 (0.40) | CA1MEN1LMNAKMT2ACYP3A4 | |
| Acetic Acid SCHEMBL30574505 | 0.81 | SLC22A1 (0.50) | CYP3A4DNM1 | |
| Acetic Acid SCHEMBL2920415 | 0.80 | DNM1 (0.46) | CA1MEN1LMNAKMT2ACYP3A4 | |
| Choline SCHEMBL316506 | 0.80 | LMNA (0.63) | CA1MEN1LMNAKMT2ACYP3A4 | |
| Acetic Acid SCHEMBL4634983 | 0.80 | CA1 (0.44) | CA1MEN1LMNAKMT2ACYP3A4 | |
| Bicarbonate SCHEMBL8857012 | 0.79 | SLC22A1 (0.48) | DNM1BBOX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103030912-B | Method for preparing composite water self-absorbent containing N, N, N-4 (2-hydroxyethyl) hyamine | UNIV NANJING FORESTRY | 2015-04-22 | — | — | CN | disclosed |