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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CAD | P27708 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 SCHEMBL27475348 | 0.98 | LMNA (0.49) | LMNAALDH1A1HSD17B10MGAMGAA | |
| SCHEMBL1332187 | 0.96 | LMNA (0.53) | LMNAALDH1A1HSD17B10MGAMGAA | |
| SCHEMBL81193 | 0.96 | LMNA (0.53) | LMNAALDH1A1HSD17B10MGAMGAA | |
| SCHEMBL1332017 | 0.96 | LMNA (0.53) | LMNAALDH1A1HSD17B10MGAMGAA | |
| SCHEMBL1331748 | 0.96 | LMNA (0.53) | LMNAALDH1A1HSD17B10MGAMGAA | |
| SCHEMBL1330728 | 0.96 | LMNA (0.53) | LMNAALDH1A1HSD17B10MGAMGAA | |
| SCHEMBL3787404 | 0.93 | LMNA (0.51) | LMNAALDH1A1HSD17B10MGAMGAA | |
| Hydrochloric Acid SCHEMBL27898018 | 0.93 | LMNA (0.51) | LMNAALDH1A1HSD17B10MGAMGAA | |
| Alcohol SCHEMBL27600744 | 0.91 | LMNA (0.50) | LMNAALDH1A1HSD17B10MGAMGAA | |
| SCHEMBL27644110 | 0.90 | LMNA (0.50) | LMNAALDH1A1HSD17B10MGAMGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101836778-B | Sole construction and related method of manufacture | WOLVERINE WORLD WIDE INC | 2013-05-08 | — | — | CN | disclosed |
| CN-101836778-A | Sole construction and related method of manufacture | WOLVERINE WORLD WIDE INC | 2010-09-22 | — | — | CN | disclosed |
| CN-1033629-A | Heterocyclic ring spiroring compounds and its preparation method | YAMANOUCHI PHARMA CO LTD (JP) | 1989-07-05 | — | — | CN | disclosed |