Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.41 |
| ▸ | FLT1 | P17948 | 2/20 | 0.41 |
| ▸ | FLT4 | P35916 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19897839 | 1.00 | MAOA (0.46) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| SCHEMBL29772014 | 0.86 | HRH3 (0.45) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| SCHEMBL23167244 | 0.86 | HRH3 (0.45) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| SCHEMBL23178053 | 0.86 | HRH3 (0.45) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| SCHEMBL14858080 | 0.83 | MCHR1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL7953464 | 0.80 | ALDH1A1 (0.49) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| SCHEMBL14577983 | 0.79 | CHRNB4 (0.54) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| SCHEMBL7960094 | 0.76 | ALDH1A1 (0.48) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| SCHEMBL7953468 | 0.76 | ALDH1A1 (0.48) | MAOAMAOBHRH3CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7960145 | 0.75 | MEN1 (0.50) | MAOAMAOBHRH3EGFRFGFR1 |
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-109863146-B | Biaryl compounds as immunomodulators | 百时美施贵宝公司 | 2023-02-28 | — | — | CN | disclosed |