Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 6/20 | 0.36 |
| ▸ | CDK8 | P49336 | 6/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CDK19 | Q9BWU1 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28127394 | 0.84 | PDE3B (0.42) | PDE3BPDE3ACCNCCDK8CYP2A6 | |
| Tert-Butyl Formate SCHEMBL27572989 | 0.81 | TDP1 (0.39) | PDE3BPDE3ACCNCCDK8CYP2A6 | |
| Ethoxycarbonyl Group SCHEMBL27637863 | 0.79 | CCNC (0.43) | PDE3BPDE3ACCNCCDK8CYP2A6 | |
| SCHEMBL30205720 | 0.79 | — | — | |
| SCHEMBL709416 | 0.79 | PDE3B (0.50) | PDE3BPDE3ACCNCCDK8CYP2A6 | |
| SCHEMBL67000 | 0.79 | — | — | |
| Indole SCHEMBL27712990 | 0.78 | CA1 (0.57) | CYP2A6MAPTPTGS2 | |
| Propylformate SCHEMBL28127351 | 0.77 | CCNC (0.39) | PDE3BPDE3ACCNCCDK8CYP2A6 | |
| Iodide SCHEMBL18952073 | 0.77 | PDE3B (0.48) | PDE3BPDE3ACCNCCDK8CYP2A6 | |
| Bromide SCHEMBL2722104 | 0.77 | PDE3B (0.48) | PDE3BPDE3ACCNCCDK8CYP2A6 |
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-103517903-B | Pyrrolopyridine aminoderivative as MPS1 inhibitor | 癌症研究科技有限公司 | 2017-03-01 | — | — | CN | claimed |
| CN-103517903-B | Pyrrolopyridine aminoderivative as MPS1 inhibitor | 癌症研究科技有限公司 | 2017-03-01 | — | — | CN | disclosed |