Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28541646 | 0.97 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL9365258 | 0.94 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL11729150 | 0.94 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL6598527 | 0.94 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL1056101 | 0.94 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL30918124 | 0.94 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL28446183 | 0.94 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL3237450 | 0.92 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL244712 | 0.92 | CA12 (0.46) | ALDH1A1KDM4EHPGDGAACA12 | |
| SCHEMBL14706736 | 0.91 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDGAACA12 |
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 4 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 |
| CN-112638477-A | Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication | 共晶制药公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-110637022-A | Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication | 共晶制药公司 | 2019-12-31 | — | — | CN | disclosed |