Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | GFER | P55789 | 1/20 | 0.67 |
| ▸ | MMP2 | P08253 | 2/20 | 0.60 |
| ▸ | MMP9 | P14780 | 2/20 | 0.60 |
| ▸ | MMP8 | P22894 | 2/20 | 0.60 |
| ▸ | MMP13 | P45452 | 2/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.53 |
| ▸ | SCD | O00767 | 1/20 | 0.52 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20806658 | 0.89 | NPC1 (0.52) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL15039230 | 0.85 | NPC1 (0.65) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL24075254 | 0.84 | GUSB (0.50) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL31063832 | 0.84 | HDAC6 (0.70) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL14587771 | 0.84 | HDAC6 (0.70) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL12172367 | 0.81 | NPC1 (0.72) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL12250679 | 0.81 | SCN10A (0.47) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL276208 | 0.81 | NPC1 (0.73) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL29899998 | 0.81 | NPC1 (0.73) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL28489293 | 0.80 | NPC1 (1.00) | NPC1RAB9AKDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3010906-B1 | BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS | AB SCIENCE (FR) | 2019-06-12 | — | — | EP | disclosed |