Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL28206718 | 0.89 | KRAS (0.44) | KRASSMN1; SMN2GAACSNK2A1NPSR1 | |
| SCHEMBL443715 | 0.85 | KRAS (0.59) | KRASSMN1; SMN2GAACSNK2A1NPSR1 | |
| SCHEMBL28857440 | 0.84 | CYP2A6 (0.43) | KRASSMN1; SMN2GAAAKR1A1AKR1B1 | |
| SCHEMBL28247078 | 0.80 | PRMT5 (0.48) | SMN1; SMN2TBXAS1 | |
| SCHEMBL13035740 | 0.79 | CSNK2A1 (0.48) | KRASSMN1; SMN2GAACSNK2A1LMNA | |
| SCHEMBL28857482 | 0.76 | MCL1 (0.42) | KRASAKR1A1AKR1B1 | |
| SCHEMBL28206298 | 0.76 | ICMT (0.40) | KRASAKR1A1AKR1B1CNR2CNR1 | |
| SCHEMBL22035559 | 0.72 | KRAS (1.00) | KRAS | |
| SCHEMBL26673741 | 0.70 | CSNK2A1 (0.43) | KRASSMN1; SMN2CSNK2A1 | |
| SCHEMBL26675684 | 0.70 | CSNK2A1 (0.40) | KRASSMN1; SMN2GAACSNK2A1AKR1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108341799-A | For treating cancer, the novel indole derivative of virus infection and tuberculosis | 生物控制术公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-104854088-B | Novel indole derivatives for the treatment of cancer, viral infections and lung diseases | 生物控制术公司 | 2018-02-16 | — | — | CN | disclosed |