Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11478630 | 0.79 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2MAPKAPK2KMT2A | |
| SCHEMBL28362215 | 0.78 | KMT2A (0.36) | NPC1RAB9ASMN1; SMN2KMT2AKDM4E | |
| SCHEMBL28450895 | 0.77 | MAPKAPK2 (0.43) | NPC1RAB9ASMN1; SMN2MAPKAPK2MAP4K4 | |
| SCHEMBL21281739 | 0.77 | SMN1; SMN2 (0.47) | NPC1RAB9ASMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL15104662 | 0.75 | RXRA (0.41) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL21281737 | 0.75 | SMN1; SMN2 (0.39) | NPC1RAB9ASMN1; SMN2MAPKAPK2KDM4E | |
| SCHEMBL10081937 | 0.74 | KMT2A (0.58) | SMN1; SMN2KMT2AKDM4EALDH1A1MEN1 | |
| SCHEMBL28358602 | 0.74 | NPC1 (0.31) | NPC1RAB9A | |
| SCHEMBL1990298 | 0.73 | MTOR (0.52) | NPC1RAB9ASMN1; SMN2KMT2AKDM4E | |
| SCHEMBL18586366 | 0.73 | PTGS2 (0.47) | NPC1RAB9ASMN1; SMN2HDAC1HDAC2 |
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-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 爱杜西亚药品有限公司 | 2020-08-28 | — | — | CN | disclosed |