Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | CLK3 | P49761 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19900857 | 0.88 | NPC1 (0.62) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL29852002 | 0.88 | NAMPT (0.51) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL1538274 | 0.88 | NAMPT (0.51) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL260218 | 0.84 | SMN1; SMN2 (0.51) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL31266420 | 0.84 | SMN1; SMN2 (0.51) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL8861663 | 0.79 | NPC1 (0.53) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL5279767 | 0.78 | NAMPT (0.46) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL11507433 | 0.78 | ESR1 (0.52) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL30917341 | 0.77 | NPC1 (0.74) | NPC1RAB9AKDM4EL3MBTL1TDP1 | |
| SCHEMBL261022 | 0.77 | NPC1 (0.74) | NPC1RAB9AKDM4EL3MBTL1TDP1 |
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-103524559-B | Ester derivant of polysubstituted 4-methylamino benzenecarboximidamide and its production and use | 西藏海思科药业集团股份有限公司 | 2016-09-28 | — | — | CN | disclosed |