Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 8/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.50 |
| ▸ | ITGAV | P06756 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23295510 | 0.91 | IDO1 (0.52) | ITGB3ITGA2BITGAVCYP1A2CTSL | |
| SCHEMBL23295511 | 0.91 | IDO1 (0.52) | ITGB3ITGA2BITGAVCYP1A2CTSL | |
| SCHEMBL23295513 | 0.91 | IDO1 (0.52) | ITGB3ITGA2BITGAVCYP1A2CTSL | |
| SCHEMBL25889273 | 0.85 | CYP1A2 (0.48) | CYP1A2CTSLIDO1TDO2CTSK | |
| SCHEMBL7686873 | 0.85 | CTRB1 (0.50) | ITGB3ITGA2BITGAVCYP1A2CTSL | |
| SCHEMBL7686869 | 0.85 | CTRB1 (0.50) | ITGB3ITGA2BITGAVCYP1A2CTSL | |
| SCHEMBL7686877 | 0.85 | CTRB1 (0.50) | ITGB3ITGA2BITGAVCYP1A2CTSL | |
| SCHEMBL1502329 | 0.81 | CYP1A2 (0.52) | CYP1A2 | |
| SCHEMBL26089884 | 0.78 | ITGB3 (0.58) | ITGB3ITGA2BITGAVCTSLIDO1 | |
| SCHEMBL26089886 | 0.78 | ITGB3 (0.58) | ITGB3ITGA2BITGAVCTSLIDO1 |
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-117715658-A | Method for inhibiting RAS | 锐新医药公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-117616031-A | RAS inhibitors for the treatment of cancer | 锐新医药公司 | 2024-02-27 | — | — | CN | disclosed |