Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.41 |
| ▸ | MASP2 | O00187 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948288 | 1.00 | HCAR2 (0.41) | HCAR2MASP2F2LMNAKDM4E | |
| SCHEMBL7463653 | 0.86 | ICAM1 (0.38) | HCAR2LMNAKDM4EALDH1A1NPSR1 | |
| SCHEMBL6684034 | 0.86 | ICAM1 (0.38) | HCAR2LMNAKDM4EALDH1A1NPSR1 | |
| SCHEMBL18905887 | 0.79 | MAPT (0.54) | LMNAALDH1A1NPSR1KMT2AMAPT | |
| SCHEMBL6832586 | 0.76 | HCAR2 (0.53) | HCAR2MASP2F2LMNAKDM4E | |
| SCHEMBL6832587 | 0.76 | HCAR2 (0.53) | HCAR2MASP2F2LMNAKDM4E | |
| SCHEMBL6946687 | 0.73 | NPSR1 (0.42) | HCAR2LMNAALDH1A1NPSR1KMT2A | |
| SCHEMBL6946681 | 0.73 | NPSR1 (0.42) | HCAR2LMNAALDH1A1NPSR1KMT2A | |
| SCHEMBL5989665 | 0.72 | — | — | |
| SCHEMBL921135 | 0.69 | CA12 (0.41) | LMNAKDM4EALDH1A1KMT2AMEN1 |
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 |