Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPS1 | P31327 | 13/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20899756 | 1.00 | CPS1 (0.58) | CPS1HPGDALDH1A1MEN1LMNA | |
| SCHEMBL2324673 | 0.84 | CPS1 (0.59) | CPS1HPGDALDH1A1MEN1LMNA | |
| SCHEMBL16063488 | 0.84 | CPS1 (0.52) | CPS1HPGDALDH1A1MEN1LMNA | |
| SCHEMBL3184249 | 0.82 | CES2 (0.68) | ALDH1A1GAARAB9ANPC1 | |
| SCHEMBL1554929 | 0.82 | CPS1 (0.61) | CPS1HPGDALDH1A1MEN1LMNA | |
| SCHEMBL22406928 | 0.82 | CYP11B1 (0.48) | CPS1ALDH1A1LMNAKMT2AGAA | |
| SCHEMBL14757895 | 0.81 | CA12 (0.49) | CPS1ALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL29280622 | 0.81 | NPC1 (0.49) | HPGDALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL31679679 | 0.81 | NPC1 (0.60) | HPGDALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL14638474 | 0.81 | NPC1 (0.68) | HPGDALDH1A1MEN1LMNAKMT2A |
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-B | 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors | 吉利德科学公司 | 2023-09-15 | — | — | CN | disclosed |