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 | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.59 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL422913 | 0.95 | LOXL2 (0.65) | LOXL2SLC7A5CA12CA1CA2 | |
| SCHEMBL1852998 | 0.90 | CA12 (0.60) | LOXL2SLC7A5CA12CA1CA2 | |
| SCHEMBL27707392 | 0.82 | LOXL2 (0.57) | LOXL2SLC7A5CA12CA1CA2 | |
| SCHEMBL15646205 | 0.81 | CA1 (0.50) | LOXL2SLC7A5CA12CA1CA2 | |
| SCHEMBL16594355 | 0.81 | CA12 (0.50) | LOXL2SLC7A5CA12CA1CA2 | |
| Acetic Acid SCHEMBL5239675 | 0.81 | CA12 (0.53) | SLC7A5CA12CA1CA2CA9 | |
| SCHEMBL7588248 | 0.80 | ALDH1A1 (0.55) | LOXL2SLC7A5CA12CA1CA2 | |
| SCHEMBL7708759 | 0.80 | KMT2A (0.52) | LOXL2SLC7A5CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5963878 | 0.80 | CA12 (0.49) | LOXL2SLC7A5CA12CA1CA2 | |
| Hydrazine SCHEMBL10771056 | 0.80 | CA12 (0.62) | LOXL2SLC7A5CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992020665-A1 | THIAZOLIDINE DERIVATIVES AND THEIR USE IN THERAPY | GLAXO GROUP LIMITED (GB) | 1992-11-26 | — | — | WO | disclosed |