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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 20/20 | 0.73 |
| ▸ | PIK3CA | P42336 | 19/20 | 0.73 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.65 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.65 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.65 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.65 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.65 |
| ▸ | ATR | Q13535 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL4994854 | 0.90 | MTOR (0.71) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL4996372 | 0.90 | MTOR (0.71) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL15374743 | 0.89 | MTOR (0.81) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL3986127 | 0.88 | MTOR (0.84) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL4994645 | 0.88 | MTOR (0.70) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL4992318 | 0.88 | PIK3CA (0.84) | MTORPIK3CAPIK3CG | |
| SCHEMBL27794919 | 0.87 | MTOR (0.72) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL27794840 | 0.87 | MTOR (0.73) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL4997924 | 0.86 | MTOR (0.82) | MTORPIK3CAPIK3CGRICTORRPTOR | |
| SCHEMBL4990193 | 0.85 | MTOR (0.64) | MTORPIK3CAPIK3CGRICTORRPTOR |
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-101675051-A | Pyrazolopyrimidine analogs and their use as mtor kinase and pi3 kinase inhibitors | WYETH CORP | 2010-03-17 | — | — | CN | disclosed |