Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 3/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30300121 | 1.00 | CYP4F2 (0.38) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL24373243 | 0.88 | GAA (0.41) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL29478900 | 0.88 | GAA (0.41) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL30300226 | 0.85 | CYP4F2 (0.38) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL21196075 | 0.85 | CYP4F2 (0.38) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL24802947 | 0.82 | CYP4F2 (0.36) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL20765166 | 0.81 | CYP4F2 (0.35) | CYP4F2CYP4A11RETRXRARXRB | |
| SCHEMBL29936966 | 0.80 | RET (0.35) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL26404733 | 0.80 | RET (0.35) | CYP4F2CYP4A11GAARETRXRA | |
| SCHEMBL29937112 | 0.80 | CYP4F2 (0.34) | CYP4F2CYP4A11GAARETATR |
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-112047937-B | Tetrahydropyrido [3,4-d ] pyrimidin-2 (1H) -ones, their preparation and their pharmaceutical use | 劲方医药科技(上海)有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-112047937-A | Tetrahydropyrido [3,4-d ] pyrimidin-2 (1H) -ones, preparation method and medical application thereof | 劲方医药科技(上海)有限公司 | 2020-12-08 | — | — | CN | disclosed |