Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 11/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.37 |
| ▸ | ATR | Q13535 | 3/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787101 | 0.83 | ATR (0.44) | MTORPIK3CAATR | |
| SCHEMBL22775349 | 0.76 | AURKA (0.41) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL22773872 | 0.76 | AURKA (0.41) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL22775348 | 0.76 | AURKA (0.41) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL28788260 | 0.76 | AURKA (0.41) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL4201820 | 0.76 | AURKA (0.41) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL28685614 | 0.75 | AURKA (0.41) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL22773890 | 0.74 | KMO (0.40) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL22773888 | 0.74 | KMO (0.40) | AURKAPDPK1MTORPIK3CAATR | |
| SCHEMBL21029956 | 0.74 | MTOR (0.49) | AURKAPDPK1MTORPIK3CAATR |
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-114008044-A | Pyridyl or pyrimidinyl MTOR kinase inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-101801962-A | Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases | ASTRAZENECA AB | 2010-08-11 | — | — | CN | disclosed |