Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6242570 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL6242576 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL28425782 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL25216149 | 0.85 | ADRB3 (0.43) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL10216868 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL19265306 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| Hydrochloric Acid SCHEMBL3446837 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL13158520 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| Styramate SCHEMBL487238 | 0.80 | SMN1; SMN2 (0.70) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| Styramate SCHEMBL22716369 | 0.80 | SMN1; SMN2 (0.70) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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-117396473-A | Imidazopyridinyl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |