Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6790944 | 0.91 | MAPT (0.32) | MAPTGSK3B | |
| SCHEMBL6173163 | 0.86 | GSK3A (0.33) | GSK3BCHRNB4CHRNA3 | |
| SCHEMBL6171710 | 0.83 | DPP4 (0.34) | GSK3B | |
| SCHEMBL2494359 | 0.72 | KDM4E (0.41) | NPSR1KDM4EHIF1AMAPTCHRNB4 | |
| SCHEMBL27644587 | 0.62 | GAA (0.54) | KDM4EMAPTCHRNB4CHRNA3 | |
| SCHEMBL2494653 | 0.62 | HTR1A (0.38) | NPSR1MAPTCHRNB4CHRNA3 | |
| SCHEMBL10599289 | 0.62 | CA12 (0.42) | KDM4EMAPTCHRNB4CHRNA3 | |
| SCHEMBL7852541 | 0.61 | ALDH1A1 (0.51) | KDM4EMAPTGSK3B | |
| SCHEMBL4070510 | 0.59 | PDE5A (0.40) | KDM4EMAPTCHRNB4CHRNA3 | |
| SCHEMBL17372104 | 0.59 | AOC3 (0.47) | KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1556372-A2 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004041806-A2 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2004-05-21 | — | — | WO | disclosed |