Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | IDE | P14735 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28693267 | 0.87 | RAB9A (0.54) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28674607 | 0.84 | SMN1; SMN2 (0.60) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28669258 | 0.83 | MAPT (0.49) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28665157 | 0.82 | RAB9A (0.47) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28666696 | 0.79 | RAB9A (0.57) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28667343 | 0.78 | RAB9A (0.58) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28689198 | 0.78 | RAB9A (0.56) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28930512 | 0.78 | RAB9A (0.62) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL8502781 | 0.77 | CYP2C9 (0.68) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28692808 | 0.77 | POLB (0.55) | NPC1CYP2C9RAB9ACYP1A2CYP3A4 |
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-110003176-B | Amide-containing benzimidazole compound and application thereof | 沈阳药科大学 | 2021-12-21 | — | — | CN | disclosed |