Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.39 |
| ▸ | HTR2A | P28223 | 7/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ADA | P00813 | 3/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL30991780 | 0.80 | KRAS (0.42) | HTR2CHTR2AHTR7CYP2C9TSHR | |
| SCHEMBL24414580 | 0.80 | KRAS (0.42) | HTR2CHTR2AHTR7CYP2C9TSHR | |
| SCHEMBL30991791 | 0.77 | CDC7 (0.41) | HTR7CYP2C9TSHRCYP2C19MTOR | |
| SCHEMBL24414579 | 0.77 | CDC7 (0.41) | HTR7CYP2C9TSHRCYP2C19MTOR | |
| SCHEMBL20559505 | 0.69 | L3MBTL1 (0.53) | HTR2CHTR2AHTR7L3MBTL1 | |
| SCHEMBL20559506 | 0.69 | L3MBTL1 (0.53) | HTR2CHTR2AHTR7L3MBTL1 | |
| SCHEMBL10101748 | 0.66 | CYP2C9 (0.36) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL21608546 | 0.64 | CYP2C9 (0.36) | HTR2CCYP2C9TSHRCYP2C19MTOR | |
| SCHEMBL21608419 | 0.64 | CYP2C9 (0.36) | HTR2CCYP2C9TSHRCYP2C19MTOR | |
| SCHEMBL867807 | 0.62 | HRH4 (0.55) | CYP2C9TSHRCYP2C19MTORHRH4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113474340-A | Novel isoindolinone substituted indoles and derivatives as RAS inhibitors | 勃林格殷格翰国际有限公司 | 2021-10-01 | — | — | CN | disclosed |