Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2989139 | 0.86 | BRD4 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2996422 | 0.86 | BRD4 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2989133 | 0.86 | BRD4 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2996425 | 0.86 | BRD4 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2989136 | 0.86 | BRD4 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2618399 | 0.82 | ALDH1A1 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL5347639 | 0.75 | ALDH1A1 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL25337526 | 0.73 | CHRNB2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL4056215 | 0.73 | CA1 (0.31) | MEN1KMT2ACYP2D6 | |
| SCHEMBL9933230 | 0.72 | KDM5A (0.37) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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-2007136570-A2 | 5,6-FUSED PYRROLIDINE COMPOUNDS USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-11-29 | — | — | WO | disclosed |