Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20908009 | 1.00 | AAK1 (0.36) | AAK1DGAT1APLNRNPC1RAB9A | |
| SCHEMBL21150265 | 0.84 | KIF11 (0.43) | NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL20907524 | 0.84 | KIF11 (0.43) | NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28401748 | 0.83 | KIF11 (0.42) | NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL28407437 | 0.83 | MAP2K1 (0.32) | — | |
| SCHEMBL20907832 | 0.83 | MAP2K1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28401746 | 0.83 | KIF11 (0.42) | NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL21112403 | 0.82 | DGAT1 (0.41) | AAK1DGAT1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21112405 | 0.82 | DGAT1 (0.41) | AAK1DGAT1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30557344 | 0.82 | DGAT1 (0.41) | AAK1DGAT1NPC1RAB9ASMN1; 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-111212832-A | 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors | 吉利德科学公司 | 2020-05-29 | — | — | CN | disclosed |