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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 3/20 | 0.31 |
| ▸ | CHRNA3 known ✓ | P32297 | 3/20 | 0.31 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18247761 | 0.93 | PKM (0.42) | HPSEPKMPDK1PDK2PDK3 | |
| SCHEMBL14428330 | 0.93 | PKM (0.42) | HPSEPKMPDK1PDK2PDK3 | |
| Acetic Acid SCHEMBL28524681 | 0.90 | HPSE (0.37) | HPSEPKMPDK1PDK2PDK3 | |
| Acetic Acid SCHEMBL28546353 | 0.90 | HPSE (0.37) | HPSEPKMPDK1PDK2PDK3 | |
| Acetic Acid SCHEMBL28533752 | 0.86 | HPSE (0.35) | HPSEPKMHTTNCOA1NCOA3 | |
| SCHEMBL3554554 | 0.85 | HPSE (0.43) | HPSEPKMPDK1PDK2PDK3 | |
| SCHEMBL18247651 | 0.84 | PKM (0.37) | HPSEPKMPDK1PDK2PDK3 | |
| Hydrochloric Acid SCHEMBL8941914 | 0.83 | HPSE (0.42) | HPSEPKMPDK1PDK2PDK3 | |
| SCHEMBL18247609 | 0.82 | PKM (0.38) | HPSEPKMPDK1PDK2PDK3 | |
| SCHEMBL25145131 | 0.81 | PKM (0.40) | PKMPDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3298003-B1 | BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2023-04-19 | — | — | EP | disclosed |