Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 4/20 | 0.64 |
| ▸ | ESR1 | P03372 | 2/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30716970 | 1.00 | MGLL (0.64) | MGLLESR1ESR2NPC1NPSR1 | |
| SCHEMBL8221493 | 0.84 | ESR1 (0.50) | MGLLESR1ESR2NPC1ALDH1A1 | |
| SCHEMBL8181697 | 0.84 | ESR1 (0.50) | MGLLESR1ESR2NPC1ALDH1A1 | |
| SCHEMBL30690133 | 0.84 | ESR1 (0.50) | MGLLESR1ESR2NPC1ALDH1A1 | |
| SCHEMBL2313327 | 0.82 | ESR1 (0.45) | MGLLESR1ESR2NPC1NPSR1 | |
| SCHEMBL1192615 | 0.79 | ESR1 (0.72) | MGLLESR1ESR2NPC1ALDH1A1 | |
| SCHEMBL19485098 | 0.79 | ESR1 (0.72) | MGLLESR1ESR2NPC1ALDH1A1 | |
| SCHEMBL1192614 | 0.79 | ESR1 (0.72) | MGLLESR1ESR2NPC1ALDH1A1 | |
| SCHEMBL24445679 | 0.78 | CES2 (0.52) | MGLLESR1ESR2ALDH1A1MAPT | |
| SCHEMBL9213713 | 0.78 | ESR1 (0.59) | MGLLESR1ESR2NPC1ALDH1A1 |
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-117304204-A | Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof | 中国科学院广州生物医药与健康研究院 | 2023-12-29 | — | — | CN | disclosed |