Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL21050673 | 0.90 | ABL1 (0.38) | ABL1BCRCYP8B1PDGFRBMAPT | |
| SCHEMBL21050822 | 0.89 | MET (0.39) | CYP8B1PDGFRBMAPTALDH1A1PIK3CD | |
| SCHEMBL21100021 | 0.89 | MET (0.39) | CYP8B1PDGFRBMAPTALDH1A1PIK3CD | |
| SCHEMBL21050676 | 0.84 | ABL1 (0.36) | ABL1BCRCYP8B1PDGFRBALDH1A1 | |
| SCHEMBL21050677 | 0.84 | ABL1 (0.36) | ABL1BCRCYP8B1PDGFRBALDH1A1 | |
| SCHEMBL21050918 | 0.84 | ABL1 (0.36) | ABL1BCRCYP8B1PDGFRBALDH1A1 | |
| SCHEMBL21050764 | 0.84 | ABL1 (0.36) | ABL1BCRCYP8B1PDGFRBALDH1A1 | |
| SCHEMBL21050944 | 0.80 | ABL1 (0.36) | ABL1BCRCYP8B1PDGFRBALDH1A1 | |
| SCHEMBL21099318 | 0.77 | MET (0.39) | MAPTALDH1A1PIK3CD | |
| SCHEMBL21050820 | 0.76 | MAPT (0.37) | ABL1BCRMAPTSMN1; SMN2TDP1 |
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 |