Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 6/20 | 0.55 |
| ▸ | PPARG | P37231 | 5/20 | 0.53 |
| ▸ | CTSK | P43235 | 8/20 | 0.49 |
| ▸ | CTSS | P25774 | 5/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21837471 | 1.00 | PPARA (0.55) | PPARAPPARGCTSKCTSSITGB3 | |
| SCHEMBL21837472 | 1.00 | PPARA (0.55) | PPARAPPARGCTSKCTSSITGB3 | |
| SCHEMBL13365298 | 0.91 | PPARA (0.53) | PPARAPPARGCTSKCTSSITGB3 | |
| SCHEMBL17393 | 0.91 | PPARA (0.53) | PPARAPPARGCTSKCTSSITGB3 | |
| SCHEMBL805173 | 0.91 | PPARA (0.53) | PPARAPPARGCTSKCTSSITGB3 | |
| SCHEMBL31407501 | 0.90 | PPARA (0.52) | PPARAPPARGCTSKCTSSITGB3 | |
| SCHEMBL954493 | 0.87 | PPARA (0.58) | PPARAPPARGCTSKCTSSCTSL | |
| SCHEMBL4845923 | 0.87 | PPARA (0.58) | PPARAPPARGCTSKCTSSCTSL | |
| SCHEMBL1987227 | 0.87 | PPARA (0.58) | PPARAPPARGCTSKCTSSCTSL | |
| SCHEMBL31386820 | 0.86 | CTSK (0.51) | PPARAPPARGCTSKCTSSITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024101402-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS | 中外製薬株式会社 | 2024-05-16 | — | — | WO | disclosed |
| WO-2022234853-A1 | CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS | 中外製薬株式会社 | 2022-11-10 | — | — | WO | disclosed |