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 | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ACLY | P53396 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4A | O75164 | 2/20 | 0.50 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | AGER | Q15109 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | KDM6B | O15054 | 1/20 | 0.50 |
| ▸ | KDM6A | O15550 | 1/20 | 0.50 |
| ▸ | TET3 | O43151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL335469 | 0.95 | NSD2 (0.60) | NSD2MEN1KMT2AACLYKDM4E | |
| SCHEMBL29550511 | 0.95 | NSD2 (0.60) | NSD2MEN1KMT2AACLYKDM4E | |
| Hydrochloric Acid SCHEMBL5450942 | 0.93 | NSD2 (0.59) | NSD2MEN1KMT2AACLYKDM4E | |
| SCHEMBL28727190 | 0.93 | NSD2 (0.59) | NSD2MEN1KMT2AACLYKDM4E | |
| SCHEMBL5680479 | 0.93 | NSD2 (0.59) | NSD2MEN1KMT2AACLYKDM4E | |
| SCHEMBL5680469 | 0.93 | NSD2 (0.59) | NSD2MEN1KMT2AACLYKDM4E | |
| Formaldehyde SCHEMBL27690889 | 0.91 | NSD2 (0.57) | NSD2MEN1KMT2AACLYKDM4E | |
| Alcohol SCHEMBL28316967 | 0.90 | NSD2 (0.57) | NSD2MEN1KMT2AACLYKDM4E | |
| SCHEMBL27335610 | 0.89 | NSD2 (0.56) | NSD2MEN1KMT2AACLYKDM4E | |
| Aziridine SCHEMBL27648195 | 0.87 | NSD2 (0.54) | NSD2MEN1KMT2AACLYKDM4E |
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-100471842-C | Carbostyril derivative or salt thereof | ASTELLAS PHARMA INC (JP) | 2009-03-25 | — | — | CN | disclosed |
| CN-1826321-A | Quinolone derivative or its salt | YAMANOUCHI PHARMA CO LTD (JP) | 2006-08-30 | — | — | CN | disclosed |