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 | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.44 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7247852 | 0.94 | NOD1 (0.50) | NOD1SLC1A2SLC1A1SLC1A3DPP7 | |
| SCHEMBL27827672 | 0.94 | NOD1 (0.50) | NOD1SLC1A2SLC1A1SLC1A3DPP7 | |
| SCHEMBL6589774 | 0.94 | NOD1 (0.50) | NOD1SLC1A2SLC1A1SLC1A3DPP7 | |
| Hydrochloric Acid SCHEMBL5906900 | 0.92 | NOD1 (0.49) | NOD1SLC1A2SLC1A1SLC1A3DPP7 | |
| Hydrochloric Acid SCHEMBL6843156 | 0.92 | NOD1 (0.49) | NOD1SLC1A2SLC1A1SLC1A3DPP7 | |
| SCHEMBL11296849 | 0.88 | NOD1 (0.52) | NOD1SLC1A2SLC1A1DPP7SLC15A1 | |
| SCHEMBL17821260 | 0.86 | NOD1 (0.55) | NOD1SLC1A2SLC1A1DPP7GRIK1 | |
| SCHEMBL11083554 | 0.86 | NOD1 (0.55) | NOD1SLC1A2SLC1A1DPP7GRIK1 | |
| Hydrochloric Acid SCHEMBL8203130 | 0.85 | NOD1 (0.53) | NOD1SLC1A2SLC1A1DPP7GRIK1 | |
| Hydrochloric Acid SCHEMBL11537647 | 0.85 | NOD1 (0.53) | NOD1SLC1A2SLC1A1DPP7GRIK1 |
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-114149331-A | Method for preparing hexamethylene diamine | 昌德新材科技股份有限公司 | 2022-03-08 | — | — | CN | disclosed |