Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | USP14 | P54578 | 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 | |
|---|---|---|---|---|
| SCHEMBL28857440 | 0.89 | CYP2A6 (0.43) | CYP2A6PTGDR2AKR1A1AKR1B1RAB9A | |
| SCHEMBL28206298 | 0.84 | ICMT (0.40) | PTGDR2AKR1A1AKR1B1KRASPRMT5 | |
| SCHEMBL28206718 | 0.84 | KRAS (0.44) | AKR1A1AKR1B1PTGER1KRASPRMT5 | |
| SCHEMBL28178061 | 0.83 | MCL1 (0.45) | MCL1PTGDR2AKR1A1AKR1B1PTGER1 | |
| SCHEMBL28247078 | 0.80 | PRMT5 (0.48) | PTGDR2RAB9APRMT5 | |
| SCHEMBL28857481 | 0.76 | KRAS (0.54) | AKR1A1AKR1B1KRAS | |
| SCHEMBL15777186 | 0.70 | L3MBTL1 (0.45) | MCL1CYP2A6PTGER1HTR6 | |
| SCHEMBL29350216 | 0.70 | L3MBTL1 (0.45) | MCL1CYP2A6PTGER1HTR6 | |
| SCHEMBL6245487 | 0.70 | CYP2A6 (0.48) | CYP2A6RAB9AHTR6 | |
| SCHEMBL18015855 | 0.67 | KCNH2 (0.46) | MCL1PTGER1HTR6 |
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 |