Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 4/20 | 0.39 |
| ▸ | AXL | P30530 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24343555 | 0.80 | IDO1 (0.40) | IDO1NOS1AXLMETAP2JAK2 | |
| SCHEMBL5408184 | 0.80 | IDO1 (0.40) | IDO1NOS1AXLMETAP2JAK2 | |
| SCHEMBL8404436 | 0.76 | IDO1 (0.46) | ESR1ESR2IDO1NOS1AXL | |
| SCHEMBL24610236 | 0.74 | IDO1 (0.41) | ESR1ESR2IDO1NOS1AXL | |
| SCHEMBL19657811 | 0.73 | NOS1 (0.50) | ESR1ESR2IDO1NOS1AXL | |
| SCHEMBL9909086 | 0.73 | TRPA1 (0.47) | ESR1ESR2IDO1NOS1AXL | |
| SCHEMBL3534803 | 0.73 | MAPT (0.52) | IDO1NOS1AXLMETAP2CDK2 | |
| SCHEMBL16647168 | 0.73 | IDO1 (0.47) | ESR1ESR2IDO1NOS1AXL | |
| SCHEMBL4133588 | 0.73 | NOS1 (0.50) | ESR1ESR2IDO1NOS1AXL | |
| SCHEMBL29428710 | 0.73 | NOS1 (0.50) | ESR1ESR2IDO1NOS1AXL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125627-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | LYNK PHARMACEUTICALS CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |