Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28745884 | 0.83 | TP53 (0.55) | TP53BCL2TRPA1MGLLCYP1A2 | |
| Hydrogen Peroxide SCHEMBL11520377 | 0.83 | TP53 (0.63) | TP53BCL2TRPA1MGLLCYP1A2 | |
| SCHEMBL13905068 | 0.83 | BCL2 (0.47) | TP53BCL2MGLLCYP1A2SMN1; SMN2 | |
| SCHEMBL3838986 | 0.83 | TP53 (0.41) | TP53BCL2TRPA1MGLLCYP1A2 | |
| SCHEMBL166894 | 0.83 | TP53 (0.61) | TP53BCL2TRPA1MGLLCYP1A2 | |
| SCHEMBL27314751 | 0.81 | TP53 (0.39) | TP53BCL2TRPA1MGLLCYP1A2 | |
| Benzene SCHEMBL9785236 | 0.80 | TP53 (0.67) | TP53BCL2TRPA1MGLLCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL28805948 | 0.80 | TP53 (0.58) | TP53BCL2TRPA1MGLLCYP1A2 | |
| SCHEMBL28256639 | 0.80 | TP53 (0.58) | TP53BCL2TRPA1MGLLCYP1A2 | |
| SCHEMBL3030289 | 0.79 | LPL (0.50) | HTTALDH1A1GRIN2DGRIN3BGRIN1 |
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-1418916-A1 | 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Amgen Inc. (US) | 2004-05-19 | — | — | EP | disclosed |
| WO-2003018022-A1 | 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | AMGEN INC. (US) | 2003-03-06 | — | — | WO | disclosed |