Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.40 |
| ▸ | MTOR | P42345 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | FLT3 | P36888 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8090804 | 0.87 | MTOR (0.37) | PIK3CAMTORRAB9AAURKBKMT2A | |
| SCHEMBL8092270 | 0.85 | NPC1 (0.43) | PIK3CAMTORNPC1RAB9ALIMK1 | |
| SCHEMBL8089088 | 0.83 | PIK3CA (0.40) | PIK3CAMTORNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8098772 | 0.83 | PIK3CD (0.39) | PIK3CAMTORRAB9AKITMEN1 | |
| SCHEMBL8099638 | 0.83 | FLT3 (0.43) | PIK3CAMTORNPC1RAB9ALIMK1 | |
| SCHEMBL4351273 | 0.83 | PIK3CA (0.49) | PIK3CAMTORPIK3R1 | |
| SCHEMBL8089090 | 0.83 | KDR (0.39) | PIK3CAMTORNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8083683 | 0.82 | NPC1 (0.42) | PIK3CAMTORNPC1RAB9ALIMK1 | |
| SCHEMBL8083976 | 0.82 | NPC1 (0.52) | PIK3CAMTORNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8096192 | 0.82 | PIK3CD (0.36) | PIK3CAMTORRAB9AFLT3AURKB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009007748-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |