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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.75 |
| ▸ | CRHBP | P24387 | 2/20 | 0.75 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.75 |
| ▸ | LMNA | P02545 | 2/20 | 0.75 |
| ▸ | HTT | P42858 | 1/20 | 0.75 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.69 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.69 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.69 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.69 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.69 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.69 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.69 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.69 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.69 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.69 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.69 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL7752354 | 0.97 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL19074542 | 0.97 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL4315996 | 0.86 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL23752483 | 0.86 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL18233524 | 0.86 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL2049579 | 0.82 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL5104098 | 0.82 | HTT (0.72) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL675474 | 0.82 | HDAC1 (1.00) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL13839008 | 0.82 | HDAC1 (0.80) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA | |
| SCHEMBL2871049 | 0.82 | CRHBP (0.72) | ALDH1A1SMN1; SMN2CRHBPCRHR2LMNA |
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-103351344-A | Novel preparation method of imidafenacin intermediate and refined product thereof | BEIJING WANQUAN DEZHONG MEDICAL BIOLOG TECHNOLOGY CO LTD | 2013-10-16 | — | — | CN | disclosed |