Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23716942 | 0.75 | CCNB2 (0.43) | PDK1ESR1CCNB2CDK1CCNB1 | |
| SCHEMBL29468124 | 0.74 | AXL (0.44) | AXLMKNK1MKNK2PDPK1PARP1 | |
| SCHEMBL105581 | 0.74 | AXL (0.44) | AXLMKNK1MKNK2PDPK1PARP1 | |
| SCHEMBL25156828 | 0.70 | KDR (0.38) | RPS6KA3GSK3AGSK3BCDK5SMN1; SMN2 | |
| SCHEMBL29365872 | 0.69 | AXL (0.40) | MAPTAXLMKNK1MKNK2PDPK1 | |
| SCHEMBL22859602 | 0.69 | AXL (0.40) | MAPTAXLMKNK1MKNK2PDPK1 | |
| SCHEMBL27278122 | 0.68 | BMP4 (0.57) | PDK1ESR1NPC1MAPTSMN1; SMN2 | |
| SCHEMBL4773518 | 0.67 | ADORA2A (0.39) | ACVR1AXLMKNK1MKNK2PDPK1 | |
| SCHEMBL18388932 | 0.67 | TOP1 (0.44) | RPS6KA3CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL529894 | 0.67 | PIK3CA (0.64) | RPS6KA3CCNB2CDK1CCNB1GSK3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3862348-A1 | ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-08-11 | — | — | EP | disclosed |
| CN-1688549-A | Compound having TGF-beta inhibitory activity and medicinal composition containing the same | KIRIN BREWERY (JP) | 2005-10-26 | — | — | CN | disclosed |