Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24414580 | 1.00 | KRAS (0.42) | KRASSOS1CYP2C9TSHRCYP2C19 | |
| SCHEMBL29288341 | 0.80 | HTR2C (0.39) | KRASSOS1CYP2C9TSHRCYP2C19 | |
| SCHEMBL30991791 | 0.79 | CDC7 (0.41) | KRASSOS1CYP2C9TSHRCYP2C19 | |
| SCHEMBL24414579 | 0.79 | CDC7 (0.41) | KRASSOS1CYP2C9TSHRCYP2C19 | |
| SCHEMBL24414784 | 0.78 | KMT2A (0.36) | HDAC8BRD4HTR6HTR7KLKB1 | |
| SCHEMBL30991773 | 0.78 | KMT2A (0.36) | HDAC8BRD4HTR6HTR7KLKB1 | |
| SCHEMBL25426067 | 0.76 | CPB2 (0.36) | KRASSOS1HDAC8KLKB1KLK1 | |
| SCHEMBL29208495 | 0.76 | ADA (0.35) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29208507 | 0.73 | NAMPT (0.37) | CYP2C9CYP2C19HDAC8BRD4 | |
| SCHEMBL24414631 | 0.72 | HTR6 (0.57) | HDAC8BRD4HTR6F2F10 |
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-B | Novel isoindolinone substituted indoles and derivatives as RAS inhibitors | 勃林格殷格翰国际有限公司 | 2024-07-23 | — | — | CN | disclosed |