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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.54 |
| ▸ | NQO2 | P16083 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CPT1A | P50416 | 1/20 | 0.40 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7720436 | 0.98 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3NQO2ALDH1A1 | |
| SCHEMBL6501184 | 0.91 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3NQO2ALDH1A1 | |
| SCHEMBL7210015 | 0.75 | SLC6A2 (0.61) | SLC6A2SLC6A4SLC6A3ALDH1A1HPGD | |
| Oxalic Acid SCHEMBL7214943 | 0.74 | SLC6A3 (0.54) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7210006 | 0.72 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3POLBTSHR | |
| SCHEMBL11988478 | 0.70 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3BRD4CREBBP | |
| SCHEMBL7209988 | 0.68 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7210016 | 0.68 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1023136 | 0.67 | SLC6A2 (0.72) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3786463 | 0.67 | NQO2 (0.73) | NQO2ALDH1A1HSD17B10TP53POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0984966-B1 | 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS | NEUROSEARCH AS (DK) | 2003-01-29 | — | — | EP | disclosed |
| EP-0984966-A1 | 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS | NEUROSEARCH A/S (DK) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998054182-A1 | 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS | NEUROSEARCH A/S (DK) | 1998-12-03 | — | — | WO | disclosed |