Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | IDO1 | P14902 | 4/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | AXL | P30530 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL14803988 | 0.83 | NOS1 (0.46) | NOS1IDO1AXLCCNE1CDK2 | |
| SCHEMBL21952718 | 0.81 | TRPA1 (0.40) | NOS1IDO1ESR1ESR2AXL | |
| SCHEMBL21540839 | 0.78 | IDO1 (0.54) | NOS1IDO1AXLMETAP2TSHR | |
| SCHEMBL24368019 | 0.78 | IDO1 (0.54) | NOS1IDO1AXLMETAP2TSHR | |
| SCHEMBL22967212 | 0.73 | NOS1 (0.46) | NOS1IDO1ESR1ESR2AXL | |
| SCHEMBL23915355 | 0.73 | TSHR (0.45) | NOS1IDO1ESR1ESR2TSHR | |
| SCHEMBL22281317 | 0.71 | TRPA1 (0.42) | NOS1IDO1AXLCDK2METAP2 | |
| SCHEMBL21217948 | 0.71 | TRPA1 (0.39) | NOS1IDO1ESR1ESR2AXL | |
| SCHEMBL24969371 | 0.71 | ESR2 (0.36) | NOS1IDO1ESR1ESR2AXL | |
| SCHEMBL8047208 | 0.71 | NOS1 (0.50) | NOS1IDO1ESR1ESR2AXL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3743420-B1 | HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE | REDX PHARMA PLC (GB) | 2021-12-15 | — | — | EP | disclosed |