Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21050842 | 0.78 | CYP1A2 (0.31) | CYP1A2CYP2A6TSHR | |
| SCHEMBL103139 | 0.67 | CYP2A6 (0.60) | CYP1A2CYP2A6TSHR | |
| SCHEMBL29520733 | 0.67 | CYP2A6 (0.60) | CYP1A2CYP2A6TSHR | |
| SCHEMBL30640484 | 0.66 | CYP1A2 (0.54) | CYP1A2CYP2A6TSHR | |
| SCHEMBL6041439 | 0.66 | TYMS (0.41) | CYP1A2CYP2A6TSHR | |
| SCHEMBL3267082 | 0.66 | CYP1A2 (0.54) | CYP1A2CYP2A6TSHR | |
| SCHEMBL7530012 | 0.65 | CYP1A2 (0.40) | CYP1A2CYP2A6TSHR | |
| SCHEMBL10272141 | 0.64 | — | — | |
| SCHEMBL8244435 | 0.63 | CYP19A1 (0.40) | CYP1A2TSHR | |
| SCHEMBL13525160 | 0.63 | CYP1A2 (0.33) | CYP1A2 |
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-2019110751-A1 | TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2019-06-13 | — | — | WO | disclosed |