Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | FLT3 | P36888 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.40 |
| ▸ | MTOR | P42345 | 4/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8096070 | 0.90 | MTOR (0.40) | KMT2APIK3CAMTORPIK3R1ATR | |
| SCHEMBL8093540 | 0.90 | RAB9A (0.39) | NPC1RAB9AFLT3MEN1KMT2A | |
| SCHEMBL8096681 | 0.89 | ATR (0.40) | MEN1KMT2AKDM4EPIK3CAMTOR | |
| SCHEMBL8083683 | 0.88 | NPC1 (0.42) | NPC1RAB9AFLT3SMN1; SMN2ADORA3 | |
| SCHEMBL8083976 | 0.88 | NPC1 (0.52) | NPC1RAB9AFLT3SMN1; SMN2ADORA3 | |
| SCHEMBL8092294 | 0.88 | ROCK2 (0.39) | NPC1PIK3CAMTORLIMK1PIK3R1 | |
| SCHEMBL8098135 | 0.87 | MTOR (0.39) | PIK3CAMTORPIK3R1ATR | |
| SCHEMBL8099638 | 0.87 | FLT3 (0.43) | NPC1RAB9AFLT3SMN1; SMN2ADORA3 | |
| SCHEMBL8091129 | 0.86 | KDR (0.40) | RAB9AFLT3SMN1; SMN2ATRKIT | |
| SCHEMBL8091924 | 0.86 | NAMPT (0.39) | RAB9APIK3CAATRKITKDR |
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 |