Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 8/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21722224 | 0.91 | KRAS (0.35) | KRASCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL30178155 | 0.87 | KRAS (0.54) | KRAS | |
| SCHEMBL30178153 | 0.87 | KRAS (0.54) | KRAS | |
| SCHEMBL30177789 | 0.87 | KRAS (0.54) | KRAS | |
| SCHEMBL21733863 | 0.87 | KRAS (0.54) | KRAS | |
| SCHEMBL21733588 | 0.87 | KRAS (0.54) | KRAS | |
| SCHEMBL21733416 | 0.87 | KRAS (0.54) | KRAS | |
| SCHEMBL29191281 | 0.74 | KRAS (0.45) | KRASKMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL21734049 | 0.73 | RPS6KB1 (0.34) | KRASCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL30834508 | 0.73 | RPS6KB1 (0.34) | KRASCYP1A2CYP3A4CYP2C19ALDH1A1 |
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-2020035031-A1 | FUSED RING COMPOUNDS | GENENTECH, INC. (US) | 2020-02-20 | — | — | WO | disclosed |