Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | HTR7 | P34969 | 3/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1662215 | 0.76 | BCL2L1 (0.48) | CYP19A1DRD2DRD3MAPK1 | |
| SCHEMBL17192145 | 0.76 | PARP10 (0.44) | MAPK1 | |
| SCHEMBL1151120 | 0.76 | CYP2A6 (0.48) | SRD5A1CYP19A1CYP11B1CYP11B2TYMS | |
| SCHEMBL29466610 | 0.76 | CYP2A6 (0.48) | SRD5A1CYP19A1CYP11B1CYP11B2TYMS | |
| SCHEMBL12657972 | 0.76 | PARP1 (0.44) | — | |
| SCHEMBL15395880 | 0.76 | SRD5A1 (0.42) | SRD5A1CYP19A1CYP11B1CYP11B2TYMS | |
| SCHEMBL1266349 | 0.74 | NOS3 (0.33) | SRD5A1CYP19A1DRD2DRD3HTR7 | |
| SCHEMBL23976551 | 0.74 | DRD2 (0.33) | SRD5A1CYP19A1CYP11B1CYP11B2DRD2 | |
| SCHEMBL30062825 | 0.74 | DRD2 (0.33) | SRD5A1CYP19A1CYP11B1CYP11B2DRD2 | |
| SCHEMBL24543235 | 0.73 | HTR2A (0.40) | NOTUM |
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-2022109487-A1 | SPIROCYCLIC-SUBSTITUTED 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |