Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11882582 | 0.92 | GRM2 (0.46) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| SCHEMBL23064565 | 0.90 | PDCD1 (0.49) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| SCHEMBL23064527 | 0.90 | KEAP1 (0.47) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| SCHEMBL23064544 | 0.89 | PDCD1 (0.51) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| SCHEMBL23064483 | 0.88 | KEAP1 (0.48) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| SCHEMBL31198346 | 0.88 | KEAP1 (0.48) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| Hydrochloric Acid SCHEMBL23064591 | 0.86 | KEAP1 (0.47) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| SCHEMBL23064465 | 0.86 | KEAP1 (0.52) | PDCD1CD274CHRNA7HTR1AADRA1B | |
| SCHEMBL15834289 | 0.80 | HTR2C (0.51) | HTR1AADRA1B | |
| SCHEMBL5270610 | 0.80 | NOTUM (0.46) | PDCD1CD274HTR1AADRA1BGRM2 |
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-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |