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 | |
|---|---|---|---|---|
| ▸ | BDKRB2 known ✓ | P30411 | 1/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6012779 | 0.92 | SIGMAR1 (0.49) | KMT2ASIGMAR1TSHRLMNACHRM2 | |
| SCHEMBL6012336 | 0.84 | SIGMAR1 (0.57) | KMT2ASIGMAR1TSHRMEN1ALDH1A1 | |
| SCHEMBL6013004 | 0.83 | SIGMAR1 (0.52) | KMT2ASIGMAR1TSHRMEN1ALDH1A1 | |
| SCHEMBL6012912 | 0.82 | SIGMAR1 (0.51) | KMT2ASIGMAR1TSHRMEN1ALDH1A1 | |
| SCHEMBL6012341 | 0.82 | SIGMAR1 (0.51) | KMT2ASIGMAR1TSHRMEN1ALDH1A1 | |
| SCHEMBL6012435 | 0.78 | SIGMAR1 (0.53) | KMT2ASIGMAR1TSHRCYP2D6MEN1 | |
| Acetic Acid SCHEMBL27373593 | 0.77 | SIGMAR1 (0.66) | KMT2ASIGMAR1MEN1SLC6A4SLC6A3 | |
| SCHEMBL1077100 | 0.72 | SIGMAR1 (0.51) | KMT2ASIGMAR1TSHRCYP2D6MEN1 | |
| SCHEMBL21538553 | 0.71 | MEN1 (0.50) | KMT2ASIGMAR1TSHRCYP2D6MEN1 | |
| SCHEMBL6012604 | 0.70 | SOS1 (0.44) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1236726-A1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-09-04 | — | — | EP | disclosed |