Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 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 | |
|---|---|---|---|---|
| SCHEMBL31164036 | 1.00 | PNMT (0.46) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL31164037 | 1.00 | PNMT (0.46) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL31164042 | 0.83 | PNMT (0.39) | PNMTNPC1RAB9AALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL7518687 | 0.81 | PNMT (0.45) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL9727218 | 0.81 | PNMT (0.42) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL4839271 | 0.80 | PNMT (0.51) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL28463245 | 0.80 | PNMT (0.51) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL4059189 | 0.80 | PNMT (0.54) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL4059193 | 0.79 | PNMT (0.50) | PNMTNPC1RAB9AHTR7HTR2B | |
| SCHEMBL6849876 | 0.79 | PNMT (0.50) | PNMTNPC1RAB9AHTR7HTR2B |
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-107922430-A | 2 substituted benzimidazole, 4 Carbox amide and preparation method and application | 中国科学院上海药物研究所 | 2018-04-17 | — | — | CN | disclosed |