Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 0.59 |
| ▸ | RAB9A | P51151 | 14/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.59 |
| ▸ | HPGD | P15428 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | PKM | P14618 | 4/20 | 0.59 |
| ▸ | TP53 | P04637 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.59 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.59 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.58 |
| ▸ | APP | P05067 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | KDM5A | P29375 | 1/20 | 0.56 |
| ▸ | KDM5C | P41229 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20019411 | 0.85 | RAB9A (0.59) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28407317 | 0.81 | NPC1 (0.59) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21708020 | 0.81 | NPC1 (0.59) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1692241 | 0.81 | RAB9A (0.59) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28403732 | 0.80 | RAB9A (0.61) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL10333641 | 0.80 | RAB9A (0.61) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28407314 | 0.79 | NPC1 (0.58) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28615697 | 0.79 | NPC1 (0.58) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL2088912 | 0.77 | RAB9A (0.55) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1987470 | 0.76 | NPC1 (0.96) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 |
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-109776574-B | Bis (2- (imidazo [1,2-a ] pyridine-2-yl) phenyl) thioether compound and synthetic method thereof | 郑州大学 | 2020-04-28 | — | — | CN | disclosed |