Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 4/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 4/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | RNPEP | Q9H4A4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5844802 | 0.83 | TBXAS1 (0.48) | TBXAS1ALDH1A1LMNANOS2NOS1 | |
| SCHEMBL27450687 | 0.82 | LMNA (0.52) | TBXAS1ALDH1A1LMNATSHRFFAR4 | |
| SCHEMBL689688 | 0.81 | TBXAS1 (0.52) | TBXAS1ALDH1A1LMNANOS2FFAR1 | |
| SCHEMBL688373 | 0.81 | TBXAS1 (0.52) | TBXAS1ALDH1A1LMNANOS2FFAR1 | |
| SCHEMBL9620658 | 0.81 | TBXAS1 (0.52) | TBXAS1ALDH1A1LMNANOS2FFAR1 | |
| SCHEMBL688511 | 0.81 | TBXAS1 (0.52) | TBXAS1ALDH1A1LMNANOS2FFAR1 | |
| SCHEMBL5844804 | 0.81 | TBXAS1 (0.52) | TBXAS1ALDH1A1LMNANOS2FFAR1 | |
| SCHEMBL9183195 | 0.81 | TBXAS1 (0.52) | TBXAS1ALDH1A1LMNANOS2FFAR1 | |
| SCHEMBL9620650 | 0.81 | TBXAS1 (0.52) | TBXAS1ALDH1A1LMNANOS2FFAR1 | |
| SCHEMBL3131180 | 0.80 | TSHR (0.55) | TBXAS1ALDH1A1LMNATSHRFFAR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979643-B | 3- (2-chloroethyl) -9-hydroxy-2-methyl-4H-pyrido [1,2-a ] pyrimidin-4-one | 重庆医科大学 | 2022-05-03 | — | — | CN | disclosed |
| CN-112979643-A | 3- (2-chloroethyl) -9-hydroxy-2-methyl-4H-pyrido [1,2-a ] pyrimidin-4-one | 重庆医科大学 | 2021-06-18 | — | — | CN | disclosed |