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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.54 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9157 | 0.97 | ITGB1 (0.57) | MAPTITGB1ITGA5SMN1; SMN2MEN1 | |
| SCHEMBL29721575 | 0.97 | ITGB1 (0.57) | MAPTITGB1ITGA5SMN1; SMN2MEN1 | |
| SCHEMBL27737497 | 0.89 | ITGB1 (0.51) | MAPTITGB1ITGA5SMN1; SMN2MEN1 | |
| SCHEMBL16950916 | 0.84 | ALDH1A1 (0.56) | MAPTITGB1ITGA5SMN1; SMN2MEN1 | |
| SCHEMBL24994 | 0.84 | CASP6 (0.70) | MAPTSMN1; SMN2MEN1LMNAHTT | |
| SCHEMBL11248434 | 0.83 | ATM (0.56) | MAPTITGB1ITGA5MEN1KMT2A | |
| SCHEMBL4605109 | 0.82 | VCAM1 (0.62) | MAPTITGB1ITGA5SMN1; SMN2MEN1 | |
| SCHEMBL31526754 | 0.81 | ALDH1A1 (0.53) | MAPTITGB1ITGA5SMN1; SMN2MEN1 | |
| SCHEMBL13835694 | 0.81 | VCAM1 (0.54) | MAPTITGB1ITGA5SMN1; SMN2MEN1 | |
| SCHEMBL8626465 | 0.81 | TTR (0.62) | MAPTITGB1ITGA5SMN1; SMN2MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110803992-B | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2022-06-24 | — | — | CN | claimed |
| CN-110803992-A | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2020-02-18 | — | — | CN | claimed |
| CN-110803992-B | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-110803992-B | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-110803992-A | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2020-02-18 | — | — | CN | disclosed |
| CN-110803992-A | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2020-02-18 | — | — | CN | disclosed |