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 | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 3/20 | 0.73 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.73 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.34 |
| ▸ | CTSD | P07339 | 4/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Caprolactam SCHEMBL16112032 | 0.98 | CRBN (0.70) | CRBNFKBP5OR51E2KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL2155488 | 0.93 | OR51E2 (0.71) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL11135219 | 0.91 | CRBN (0.73) | CRBNFKBP5OR51E2KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL27605240 | 0.91 | OR51E2 (0.68) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL28156850 | 0.90 | CRBN (0.59) | CRBNFKBP5OR51E2KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL27544296 | 0.89 | OR51E2 (0.65) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL4961789 | 0.88 | CRBN (0.76) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL28301539 | 0.88 | CRBN (0.84) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL1532933 | 0.87 | CRBN (0.67) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL17961671 | 0.86 | CRBN (0.73) | CRBNFKBP5OR51E2KDM4EGAA |
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-2002022582-A2 | SOLID SALT FORMS OF N-[2-[4-[2-(1-METHYLETHOXY)PHENYL]-1-PIPERAZINYL]ETHYL]-2-OXO-1-PIPERIDINEACETAMIDE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2002-03-21 | — | — | WO | disclosed |