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 | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 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 SCHEMBL27794771 | 0.98 | NOTUM (0.46) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| Acetone SCHEMBL28096853 | 0.92 | KDM4E (0.45) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL28155260 | 0.90 | KDM4E (0.49) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL27554322 | 0.88 | KDM4E (0.47) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL29405980 | 0.88 | KDM4E (0.50) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL35762 | 0.88 | KDM4E (0.50) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| Acetone SCHEMBL28833646 | 0.87 | KDM4E (0.42) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL27657491 | 0.86 | KDM4E (0.49) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL27296965 | 0.86 | KDM4E (0.49) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL27280991 | 0.86 | KDM4E (0.49) | NOTUMKDM4ESMN1; SMN2MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106350158-A | Anti-rust micro-emulsified cutting fluid and preparation method thereof | 天长市润达金属防锈助剂有限公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-106336937-A | Anti-freezing microemulsion cutting fluid and preparation method thereof | 天长市润达金属防锈助剂有限公司 | 2017-01-18 | — | — | CN | disclosed |