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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL345484 | 0.94 | SMN1; SMN2 (0.40) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL343573 | 0.94 | SMN1; SMN2 (0.40) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL344602 | 0.81 | SMN1; SMN2 (0.46) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL4518742 | 0.75 | GLA (0.53) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL4518744 | 0.75 | GLA (0.53) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL1385740 | 0.74 | LMNA (0.44) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL1385739 | 0.74 | LMNA (0.44) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL5921835 | 0.71 | GLA (0.55) | GLASMN1; SMN2USP2LMNATSHR | |
| SCHEMBL8988818 | 0.71 | ACE (0.39) | LMNAKDM4EALDH1A1KMT2ACYP3A4 | |
| SCHEMBL8988835 | 0.71 | ACE (0.39) | LMNAKDM4EALDH1A1KMT2ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2142519-A1 | DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING A DIABETES OR AN OBESITY | Dong-A Pharm.Co., Ltd. (KR) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008130151-A1 | DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING A DIABETES OR AN OBESITY | DONG-A PHARM. CO., LTD. (KR) | 2008-10-30 | — | — | WO | disclosed |