Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 4/20 | 0.44 |
| ▸ | AXL | P30530 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 6/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 5/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24460593 | 0.79 | NOS1 (0.62) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL29563432 | 0.79 | NOS1 (0.62) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL12141 | 0.77 | IDO1 (0.60) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL29563426 | 0.72 | IDO1 (0.54) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL276443 | 0.72 | IDO1 (0.54) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL15730306 | 0.71 | NOS1 (0.43) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL12315709 | 0.70 | METAP2 (0.64) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL15045468 | 0.70 | MAPT (0.43) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL8404436 | 0.70 | IDO1 (0.46) | IDO1NOS1AXLTRPA1CDK2 | |
| SCHEMBL12321248 | 0.70 | NOS1 (0.56) | IDO1NOS1AXLTRPA1CDK2 |
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-2022109485-A1 | 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |