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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1229255 | 0.92 | PHGDH (0.45) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 | |
| Acetic Acid SCHEMBL1227588 | 0.90 | CA2 (0.43) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 | |
| Acetic Acid SCHEMBL1227533 | 0.88 | MAPT (0.57) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 | |
| Acetic Acid SCHEMBL1227528 | 0.84 | MAPT (0.46) | PHGDHSMN1; SMN2MAPTKDM4ELMNA | |
| Acetic Acid SCHEMBL1227555 | 0.83 | CA12 (0.46) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 | |
| Acetic Acid SCHEMBL1229676 | 0.82 | PHGDH (0.43) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 | |
| Acetic Acid SCHEMBL1227788 | 0.81 | ALDH1A1 (0.36) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 | |
| Acetic Acid SCHEMBL1228449 | 0.81 | MAPT (0.46) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 | |
| Acetic Acid SCHEMBL1227352 | 0.80 | MAPT (0.50) | SMN1; SMN2MAPTKMT2AMEN1POLB | |
| Acetic Acid SCHEMBL1229396 | 0.80 | MEN1 (0.35) | PHGDHSMN1; SMN2MAPTKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |