Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 12/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 2/20 | 0.34 |
| ▸ | LITAF | Q99732 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL21099582 | 1.00 | KRAS (0.51) | KRASHDAC6HDAC8USP30GPR119 | |
| SCHEMBL21099999 | 1.00 | KRAS (0.51) | KRASHDAC6HDAC8USP30GPR119 | |
| SCHEMBL21050889 | 0.90 | KRAS (0.51) | KRASHDAC6HDAC8USP30GPR119 | |
| SCHEMBL21099228 | 0.89 | KRAS (0.49) | KRASHDAC6HDAC8USP30GPR119 | |
| SCHEMBL21050785 | 0.86 | KRAS (0.55) | KRAS | |
| SCHEMBL21050984 | 0.86 | KRAS (0.55) | KRAS | |
| SCHEMBL21099288 | 0.86 | KRAS (0.51) | KRASGPR119 | |
| SCHEMBL21099315 | 0.85 | KRAS (0.41) | KRASHDAC6HDAC8USP30GPR119 | |
| SCHEMBL21099359 | 0.85 | HDAC6 (0.38) | KRASHDAC6HDAC8USP30GPR119 | |
| SCHEMBL21099612 | 0.84 | KRAS (0.50) | KRASHDAC6HDAC8GPR119POLB |
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 |