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 | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 8/20 | 0.62 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | ACACB | O00763 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL257324 | 0.90 | MTNR1A (0.52) | MTNR1AMTNR1BMAPTACACBGPBAR1 | |
| SCHEMBL28121089 | 0.90 | MTNR1A (0.52) | MTNR1AMTNR1BMAPTACACBGPBAR1 | |
| SCHEMBL12550266 | 0.90 | MTNR1A (0.52) | MTNR1AMTNR1BMAPTACACBGPBAR1 | |
| SCHEMBL27549287 | 0.89 | MTNR1A (0.54) | MTNR1AMTNR1BMAPTACACBCYP1A2 | |
| Formaldehyde SCHEMBL27546899 | 0.88 | MTNR1A (0.51) | MTNR1AMTNR1BMAPTACACBCYP1A2 | |
| Formic Acid SCHEMBL27695490 | 0.87 | MTNR1A (0.51) | MTNR1AMTNR1BMAPTACACBCYP1A2 | |
| Nitrous Acid SCHEMBL27782920 | 0.87 | MTNR1A (0.51) | MTNR1AMTNR1BMAPTACACBCYP1A2 | |
| Methylamine SCHEMBL27820382 | 0.86 | MTNR1A (0.49) | MTNR1AMTNR1BMAPTGPBAR1CYSLTR1 | |
| SCHEMBL27644929 | 0.83 | MTNR1A (0.49) | MTNR1AMTNR1BMAPTACACBADORA3 | |
| SCHEMBL27470070 | 0.83 | MTNR1A (0.47) | MTNR1AMTNR1BMAPTACACBGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100540537-C | GFAT inhibitors | HOFFMANN LA ROCHE (CH) | 2009-09-16 | — | — | CN | disclosed |
| CN-1791581-A | Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors | HOFFMANN LA ROCHE (CH) | 2006-06-21 | — | — | CN | disclosed |