Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.57 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.55 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 3/20 | 0.41 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.37 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625650 | 0.90 | CHRNB2 (0.59) | CHRNB2CHRNA4CHRNB4CHRNA3SSTR2 | |
| SCHEMBL21625651 | 0.90 | CHRNB2 (0.59) | CHRNB2CHRNA4CHRNB4CHRNA3SSTR2 | |
| SCHEMBL27461278 | 0.83 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL30381538 | 0.83 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL30811747 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL30665753 | 0.80 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL1980777 | 0.80 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL2067959 | 0.80 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL25074515 | 0.79 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL19947418 | 0.79 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |