Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | METTL3 | Q86U44 | 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 | |
|---|---|---|---|---|
| SCHEMBL29225392 | 0.69 | PTGS2 (0.53) | CES2CES1ESR1PTGS2ATM | |
| SCHEMBL18914874 | 0.69 | AKT1 (0.39) | CES2CES1AKT1ATMSMN1; SMN2 | |
| SCHEMBL20674777 | 0.69 | AKT1 (0.42) | CES2CES1NPSR1GRIN1GRIN2B | |
| SCHEMBL28312133 | 0.66 | CES2 (0.50) | CES2CES1ESR1PTGS2ATM | |
| SCHEMBL20470769 | 0.66 | AKT1 (0.46) | CES2CES1NPSR1AKT1ATM | |
| SCHEMBL9310242 | 0.66 | CES2 (0.50) | CES2CES1ESR1PTGS2ATM | |
| SCHEMBL18868783 | 0.66 | AKT1 (0.46) | CES2CES1NPSR1AKT1ATM | |
| SCHEMBL12954863 | 0.64 | GRIN2B (0.38) | GRIN1GRIN2BNOS2AKT1ATM | |
| SCHEMBL25827226 | 0.64 | CES2 (0.41) | CES2CES1ESR1PTGS2KMT2A | |
| SCHEMBL1043478 | 0.64 | CES2 (0.52) | CES2CES1NPSR1ESR1PTGS2 |
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-2015148464-A1 | PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE | ARQULE INC. (US) | 2015-10-01 | — | — | WO | disclosed |