Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20547967 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19KDM4CHTR1A | |
| SCHEMBL28910814 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19KDM4CHTR1A | |
| SCHEMBL20548002 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19KDM4CHTR1A | |
| SCHEMBL21069711 | 0.91 | HPGD (0.46) | CYP1A2CYP2C9CYP2C19KDM4CHTR1A | |
| SCHEMBL23308127 | 0.85 | MEN1 (0.37) | CYP1A2CYP2C9CYP2C19KDM4CLMNA | |
| SCHEMBL31419834 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19HTR1AHTR7 | |
| SCHEMBL21902678 | 0.83 | ACHE (0.43) | KDM4CHTR1AHTR7DRD3ACHE | |
| SCHEMBL23308124 | 0.81 | L3MBTL1 (0.50) | CYP2C9CYP2C19KDM4CLMNAMEN1 | |
| SCHEMBL8305605 | 0.81 | GAA (0.51) | CYP1A2CYP2C9CYP2C19KDM4CMEN1 | |
| SCHEMBL6473079 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19KDM4CHTR1A |
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-112638477-B | Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication | 共晶制药公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-110637022-B | Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication | 共晶制药公司 | 2022-09-16 | — | — | CN | disclosed |