Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL17067858 | 1.00 | CHRNB2 (0.38) | CHRNB2CHRNA7CHRNA4DRD2DRD3 | |
| SCHEMBL15039527 | 0.84 | CHRNB2 (0.46) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| SCHEMBL18704814 | 0.84 | CHRNB2 (0.46) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| SCHEMBL21723224 | 0.84 | CHRNB2 (0.46) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| Hydrochloric Acid SCHEMBL15017116 | 0.83 | CHRNB2 (0.44) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| Hydrochloric Acid SCHEMBL15017117 | 0.83 | CHRNB2 (0.44) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| SCHEMBL2708320 | 0.79 | MEN1 (0.47) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| SCHEMBL22097409 | 0.77 | KCNH2 (0.41) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| SCHEMBL22089706 | 0.77 | CHRNB2 (0.40) | CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2 | |
| SCHEMBL2240758 | 0.77 | CHRNB2 (0.40) | CHRNB2CHRNA7CHRNA4L3MBTL1TRPM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012116217-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-08-30 | — | — | WO | disclosed |
| WO-2012034095-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-03-15 | — | — | WO | disclosed |
| WO-2012034095-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-03-15 | — | — | WO | disclosed |