Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25183100 | 0.88 | CTSK (0.51) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL24447455 | 0.88 | CTSK (0.51) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL24633951 | 0.86 | CTSK (0.47) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL25177917 | 0.86 | CTSK (0.47) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL11306029 | 0.86 | FOLH1 (0.49) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL6420482 | 0.85 | FOLH1 (0.48) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL28404302 | 0.85 | FOLH1 (0.63) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL7087077 | 0.85 | FOLH1 (0.63) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL16446175 | 0.84 | FOLH1 (0.53) | FOLH1ABCB1ITGB3ITGA2BCTSK | |
| SCHEMBL25178768 | 0.84 | ABCB1 (0.50) | FOLH1ABCB1ITGB3ITGA2BCTSK |
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 |