Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CPS1 | P31327 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30557262 | 0.84 | APLNR (0.40) | L3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28953847 | 0.72 | ADRA2A (0.45) | CPS1MTNR1BMTNR1APTGS1 | |
| SCHEMBL1922871 | 0.71 | PTGS2 (0.48) | TDP1L3MBTL1CPS1CYP1A2CYP2C19 | |
| SCHEMBL21342326 | 0.70 | PRKCZ (0.46) | TDP1L3MBTL1CPS1NPC1HPGD | |
| SCHEMBL1506644 | 0.69 | PTGS2 (0.63) | CYP1A2CYP2C19PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL21332000 | 0.69 | PRKCZ (0.45) | TDP1L3MBTL1CPS1NPC1HPGD | |
| SCHEMBL28738832 | 0.69 | ADRA2A (0.42) | CPS1CYP1A2CYP2D6MTNR1BMTNR1A | |
| SCHEMBL20907524 | 0.68 | KIF11 (0.43) | TDP1L3MBTL1CPS1NPC1CYP1A2 | |
| SCHEMBL21150265 | 0.68 | KIF11 (0.43) | TDP1L3MBTL1CPS1NPC1CYP1A2 | |
| SCHEMBL2292153 | 0.68 | ADRA2A (0.45) | CPS1CYP1A2CYP2D6MTNR1BMTNR1A |
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 |