Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 9/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27759918 | 0.84 | GSK3B (0.42) | GRM1GSK3B | |
| SCHEMBL19049368 | 0.83 | NOTUM (0.42) | CHRNA7GSK3B | |
| SCHEMBL13715624 | 0.83 | NOTUM (0.42) | CHRNA7GSK3B | |
| SCHEMBL27564787 | 0.76 | GRM1 (0.67) | GRM1CHRNB2CHRNA4CHRNA7GSK3B | |
| SCHEMBL28282066 | 0.75 | CHRNB2 (0.50) | GRM1CHRNB2CHRNA4CHRNA7CHRNB4 | |
| SCHEMBL28282064 | 0.75 | CHRNB2 (0.50) | GRM1CHRNB2CHRNA4CHRNA7CHRNB4 | |
| SCHEMBL2384729 | 0.75 | CHRNB2 (0.54) | CHRNB2CHRNA4TRPV6 | |
| SCHEMBL28956406 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL27702488 | 0.74 | GRM1 (0.54) | GRM1GSK3B | |
| SCHEMBL4354268 | 0.74 | TRPV1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101501035-B | Pyrimidine derivatives as PI3K inhibitors and uses thereof | CHUGAI PHARMACEUTICAL CO LTD | 2013-01-23 | — | — | CN | disclosed |
| CN-101501035-A | Pyrimidine derivatives as P13K inhibitors and uses thereof | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2009-08-05 | — | — | CN | disclosed |