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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30954800 | 0.92 | DAO (0.39) | MAOBALDH1A1GAANR4A2FFAR1 | |
| Acetic Acid SCHEMBL27812979 | 0.84 | MAOB (0.41) | MAOBMAOANR4A2MAPTNPC1 | |
| SCHEMBL15746788 | 0.77 | MAOB (0.43) | MAOBALDH1A1GAAMAOANR4A2 | |
| SCHEMBL15746710 | 0.76 | NR4A2 (0.45) | MAOBALDH1A1GAANR4A2FFAR1 | |
| Acetic Acid SCHEMBL27833084 | 0.76 | GRIN1 (0.40) | ALDH1A1GAAMAPTHTTKDM4E | |
| SCHEMBL1503228 | 0.75 | MAOB (0.43) | MAOBMAPTNPC1 | |
| SCHEMBL22283904 | 0.74 | ALDH1A1 (0.58) | MAOBALDH1A1GAAMAPTNPC1 | |
| SCHEMBL1503187 | 0.73 | ALDH1A1 (0.41) | MAOBALDH1A1GAAMAOANR4A2 | |
| SCHEMBL22719956 | 0.72 | ALDH1A1 (0.38) | MAOBALDH1A1GAAMAOANR4A2 | |
| SCHEMBL22719954 | 0.72 | ALDH1A1 (0.38) | MAOBALDH1A1GAAMAOANR4A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102112447-B | HIV integrase inhibitors from pyridoxine | AMBRILIA BIOPHARMA INC | 2013-06-26 | — | — | CN | claimed |
| CN-102112447-A | HIV integrase inhibitors from pyridoxine | AMBRILIA BIOPHARMA INC | 2011-06-29 | — | — | CN | claimed |
| CN-102112447-B | HIV integrase inhibitors from pyridoxine | AMBRILIA BIOPHARMA INC | 2013-06-26 | — | — | CN | disclosed |
| CN-102112447-A | HIV integrase inhibitors from pyridoxine | AMBRILIA BIOPHARMA INC | 2011-06-29 | — | — | CN | disclosed |