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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | AHCY | P23526 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | GRM7 | Q14831 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10416255 | 0.96 | ELANE (0.35) | ELANEOPRD1AHCYNPY5RDRD3 | |
| Oxalic Acid SCHEMBL7369077 | 0.95 | ELANE (0.36) | ELANEOPRD1AHCYNPY5RGSTO1 | |
| SCHEMBL9725923 | 0.85 | LNPEP (0.37) | ELANE | |
| SCHEMBL9725898 | 0.82 | OPRD1 (0.39) | OPRD1AHCYGRM7 | |
| Hydrochloric Acid SCHEMBL7634867 | 0.81 | OPRD1 (0.38) | OPRD1AHCYGRM7 | |
| Hydrochloric Acid SCHEMBL7634870 | 0.81 | OPRD1 (0.38) | OPRD1AHCYGRM7 | |
| SCHEMBL6261622 | 0.78 | ELANE (0.49) | ELANE | |
| SCHEMBL6261618 | 0.78 | ELANE (0.49) | ELANE | |
| SCHEMBL7296069 | 0.77 | DPP4 (0.42) | — | |
| SCHEMBL10529734 | 0.77 | ELANE (0.51) | ELANE |
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-4871842-A | Piperidine derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-10-03 | — | — | US | disclosed |