Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.32 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3641432 | 0.91 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28163760 | 0.86 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29278701 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8720801 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL27396593 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL454461 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28515301 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29883487 | 0.80 | KDM4E (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29542562 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29542978 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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-117887445-A | Viologen/eutectic solvent and preparation method and application thereof | 江苏大学 | 2024-04-16 | — | — | CN | disclosed |