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 | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | SI | P14410 | 1/20 | 0.55 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27471902 | 0.97 | MGAM (0.57) | MGAMGAASIMGAM2LMNA | |
| Acetic Acid SCHEMBL19468 | 0.97 | MGAM (0.57) | MGAMGAASIMGAM2LMNA | |
| Acetic Acid SCHEMBL7017383 | 0.97 | MGAM (0.57) | MGAMGAASIMGAM2LMNA | |
| Acetic Acid SCHEMBL29077645 | 0.95 | MGAM (0.55) | MGAMGAASIMGAM2LMNA | |
| Acetic Acid SCHEMBL30289950 | 0.95 | MGAM (0.55) | MGAMGAASIMGAM2LMNA | |
| Acetic Acid SCHEMBL1418759 | 0.95 | MGAM (0.55) | MGAMGAASIMGAM2LMNA | |
| Hydrochloric Acid SCHEMBL2147 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27318593 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL31484796 | 0.92 | LMNA (0.61) | MGAMGAASIMGAM2LMNA | |
| Glycine SCHEMBL28475068 | 0.90 | KDM4E (0.54) | MGAMGAASIMGAM2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-107827837-B | Sphingosine-1-phosphate receptor modulator compounds, and preparation method and application thereof | 苏州朗科生物技术股份有限公司 | 2021-09-24 | — | — | CN | disclosed |