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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MC5R | P33032 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 SCHEMBL14343057 | 0.91 | KMT2A (0.59) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL29170764 | 0.91 | KMT2A (0.59) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL27650539 | 0.89 | SIGMAR1 (0.47) | KMT2AMEN1SIGMAR1ALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL29290494 | 0.88 | MEN1 (0.57) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL8540399 | 0.88 | MEN1 (0.57) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL27733277 | 0.88 | MEN1 (0.57) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL28252800 | 0.88 | MEN1 (0.57) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL28375367 | 0.86 | KMT2A (0.49) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL6940060 | 0.85 | MEN1 (0.52) | KMT2AMEN1TDP1CHRM2MAOA | |
| Acetic Acid SCHEMBL31201831 | 0.85 | KMT2A (0.52) | KMT2AMEN1TDP1CHRM2MAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-112546242-A | Nonapeptide-based magnetic resonance and fluorescence dual-mode imaging diagnostic agent and preparation method thereof | 武汉工程大学 | 2021-03-26 | — | — | CN | disclosed |