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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7069968 | 0.96 | GAA (0.61) | GAALMNAUSP2CNR1SMN1; SMN2 | |
| Acetic Acid SCHEMBL28746419 | 0.82 | F10 (0.52) | GAALMNAUSP2SMN1; SMN2HTT | |
| Acetic Acid SCHEMBL27550441 | 0.82 | F10 (0.62) | GAALMNAUSP2SMN1; SMN2 | |
| Acetic Acid SCHEMBL27550437 | 0.82 | L3MBTL1 (0.57) | GAALMNAUSP2L3MBTL1POLB | |
| Acetic Acid SCHEMBL27550420 | 0.81 | F10 (0.51) | GAAUSP2SMN1; SMN2HTTL3MBTL1 | |
| Acetic Acid SCHEMBL27550450 | 0.81 | F10 (0.57) | GAALMNACNR1L3MBTL1HPGD | |
| Acetic Acid SCHEMBL27550419 | 0.80 | F10 (0.59) | SMN1; SMN2 | |
| SCHEMBL18711333 | 0.80 | LMNA (0.69) | GAALMNACNR1SMN1; SMN2HTT | |
| SCHEMBL1945062 | 0.79 | L3MBTL1 (0.80) | GAALMNACNR1SMN1; SMN2HTT | |
| SCHEMBL7074108 | 0.79 | F10 (0.54) | GAALMNAUSP2SMN1; SMN2HTT |
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-1272107-A | Benzamidine derivatives as factor Xa inhibitors | MERCK PATENT GMBH (DE) | 2000-11-01 | — | — | CN | disclosed |