Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.41 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.41 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946681 | 1.00 | NPSR1 (0.42) | NPSR1ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL7464335 | 0.84 | MAPT (0.38) | NPSR1ALDH1A1LMNAMAPTKMT2A | |
| Maleic Acid SCHEMBL31082131 | 0.81 | GAA (0.47) | NPSR1ALDH1A1LMNAMAPTKMT2A | |
| Fumaric Acid SCHEMBL31082155 | 0.81 | GAA (0.47) | NPSR1ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL4649040 | 0.80 | MMP1 (0.49) | NPSR1ALDH1A1MAPTKMT2ANFKB1 | |
| SCHEMBL4649042 | 0.80 | MMP1 (0.49) | NPSR1ALDH1A1MAPTKMT2ANFKB1 | |
| SCHEMBL4647175 | 0.78 | NPSR1 (0.40) | NPSR1ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL6942134 | 0.77 | SMN1; SMN2 (0.49) | ALDH1A1LMNAMAPTKMT2AGAA | |
| SCHEMBL6942137 | 0.77 | SMN1; SMN2 (0.49) | ALDH1A1LMNAMAPTKMT2AGAA | |
| O-Xylene SCHEMBL6232604 | 0.75 | GAA (0.56) | NPSR1ALDH1A1LMNAMAPTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6642246-B1 | Potent ligands for nicotinic acetylcholine receptors (nAChRs). Alzheimer's disease, cognitive or attention disorders, anxiety, depression, smoking cessation, neuroprotection, schizophrenia, analgesia, Tourette's syndrome, and Parkinson's | ASTRAZENECA AB (SE) | 2003-11-04 | — | — | US | disclosed |
| EP-1235826-B1 | QUINUCLIDINE ACRYLAMIDES | ASTRAZENECA AB (SE) | 2003-09-03 | — | — | EP | disclosed |
| EP-1235826-A1 | QUINUCLIDINE ACRYLAMIDES | AstraZeneca AB (SE) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001029034-A1 | QUINUCLIDINE ACRYLAMIDES | ASTRAZENECA AB (SE) | 2001-04-26 | — | — | WO | disclosed |