Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 7/20 | 0.55 |
| ▸ | TNF | P01375 | 4/20 | 0.39 |
| ▸ | LITAF | Q99732 | 4/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21050967 | 0.87 | KRAS (0.60) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21099310 | 0.87 | KRAS (0.60) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21099218 | 0.84 | KRAS (0.59) | KRASTNFLITAFHDAC6MAPT | |
| SCHEMBL21099333 | 0.84 | KRAS (0.78) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21099311 | 0.83 | KRAS (0.57) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21100008 | 0.82 | KRAS (0.65) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21099629 | 0.81 | KRAS (0.71) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21099392 | 0.81 | KRAS (0.65) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21099287 | 0.80 | KRAS (0.55) | KRASTNFLITAFHDAC6SCN9A | |
| SCHEMBL21099225 | 0.79 | KRAS (0.68) | KRASTNFLITAFHDAC6SCN9A |
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 |