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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
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 SCHEMBL1227528 | 0.91 | MAPT (0.46) | MAPTSMN1; SMN2ALDH1A1THRBHPGD | |
| Acetic Acid SCHEMBL1229490 | 0.89 | MAPT (0.54) | MAPTSMN1; SMN2ALDH1A1HPGDEGFR | |
| Acetic Acid SCHEMBL1227555 | 0.87 | CA12 (0.46) | MAPTSMN1; SMN2ALDH1A1THRBHPGD | |
| Acetic Acid SCHEMBL1228996 | 0.84 | PHGDH (0.40) | MAPTSMN1; SMN2ALDH1A1THRBHPGD | |
| Acetic Acid SCHEMBL1228312 | 0.84 | MAPT (0.47) | MAPTSMN1; SMN2ALDH1A1THRBHPGD | |
| Acetic Acid SCHEMBL1229445 | 0.83 | KMT2A (0.42) | MAPTSMN1; SMN2ALDH1A1THRBHPGD | |
| Acetic Acid SCHEMBL1229878 | 0.83 | MAPT (0.47) | MAPTSMN1; SMN2ALDH1A1THRBHPGD | |
| Acetic Acid SCHEMBL1228842 | 0.82 | MAPT (0.54) | MAPTALDH1A1THRBHPGDEGFR | |
| Acetic Acid SCHEMBL1227913 | 0.81 | SIRT2 (0.53) | MAPTSMN1; SMN2ALDH1A1THRBHPGD | |
| Acetic Acid SCHEMBL1230010 | 0.81 | HIF1A (0.45) | MAPTSMN1; SMN2ALDH1A1USP2SIRT2 |
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 |