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 | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3227303 | 0.91 | LTA4H (0.47) | HDAC3TSHRHTTRECQLZDHHC2 | |
| SCHEMBL3229694 | 0.85 | LTA4H (0.47) | HTTZDHHC2NAAALMNAALDH1A1 | |
| SCHEMBL3222529 | 0.84 | ZDHHC2 (0.48) | HTTZDHHC2NAAALMNAALDH1A1 | |
| SCHEMBL3213441 | 0.84 | ZDHHC2 (0.48) | HTTZDHHC2NAAALMNAALDH1A1 | |
| SCHEMBL3229711 | 0.84 | ZDHHC2 (0.48) | HTTZDHHC2NAAALMNAALDH1A1 | |
| Sulfuric Acid SCHEMBL27511040 | 0.83 | ZDHHC2 (0.49) | HTTRECQLZDHHC2NAAAALDH1A1 | |
| SCHEMBL14307856 | 0.81 | HDAC3 (0.46) | HDAC3HTTLMNAALDH1A1GAA | |
| SCHEMBL1033246 | 0.79 | HTR1B (0.42) | TSHRRECQLZDHHC2MTNR1AMTNR1B | |
| SCHEMBL8641655 | 0.78 | L3MBTL1 (0.51) | L3MBTL1HTTLMNA | |
| Piperidine SCHEMBL27899320 | 0.78 | LTA4H (0.37) | HDAC3TSHRHTTRECQLZDHHC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4639468-A | Derivatives of glycinamide, their preparation and their use | CONTINENTAL PHARMA INC. (BE) | 1987-01-27 | — | — | US | disclosed |