Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 9/20 | 0.60 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.55 |
| ▸ | MTOR | P42345 | 3/20 | 0.51 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.51 |
| ▸ | ADK | P55263 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.47 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.47 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.47 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14694265 | 0.87 | DHFR (0.58) | DHFR | |
| SCHEMBL4611806 | 0.85 | DHFR (0.71) | DHFRPIK3CA | |
| SCHEMBL265154 | 0.84 | DHFR (0.59) | DHFRFYN | |
| SCHEMBL30515653 | 0.84 | DHFR (0.56) | DHFR | |
| SCHEMBL30560046 | 0.84 | DHFR (0.59) | DHFRFYN | |
| SCHEMBL17907560 | 0.84 | DHFR (0.56) | DHFR | |
| SCHEMBL264111 | 0.81 | HRH3 (0.56) | DHFRPIK3CAMTORPIK3CD | |
| SCHEMBL1028839 | 0.80 | DHFR (0.46) | DHFRPIK3CAMTORPIK3R1ADK | |
| SCHEMBL28070394 | 0.80 | TTK (0.52) | DHFRPIK3CAMTORPIK3R1ADK | |
| SCHEMBL14694244 | 0.79 | DHFR (0.50) | DHFR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558474-A1 | 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES | Rigel Pharmaceuticals, Inc. (US) | 2013-02-20 | — | — | EP | claimed |
| WO-2011130390-A1 | 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES | RIGEL PHARMACEUTICALS, INC. (US) | 2011-10-20 | — | — | WO | claimed |
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |
| EP-2558474-A1 | 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES | Rigel Pharmaceuticals, Inc. (US) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011130390-A1 | 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES | RIGEL PHARMACEUTICALS, INC. (US) | 2011-10-20 | — | — | WO | disclosed |