Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 4/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28798683 | 1.00 | CTSS (0.42) | CTSSP2RX7SOS1IDO1TDO2 | |
| SCHEMBL28798674 | 0.86 | P2RX7 (0.40) | CTSSP2RX7SOS1IDO1TDO2 | |
| SCHEMBL28798677 | 0.86 | P2RX7 (0.40) | CTSSP2RX7SOS1IDO1TDO2 | |
| SCHEMBL1728842 | 0.85 | MC4R (0.42) | P2RX7IDO1TDO2POLBMAPK1 | |
| SCHEMBL1729214 | 0.85 | MC4R (0.42) | P2RX7IDO1TDO2POLBMAPK1 | |
| SCHEMBL12261511 | 0.85 | MC4R (0.42) | P2RX7IDO1TDO2POLBMAPK1 | |
| SCHEMBL23563546 | 0.82 | P2RX7 (0.44) | CTSSP2RX7SOS1IDO1TDO2 | |
| SCHEMBL27393729 | 0.81 | P2RX7 (0.45) | CTSSP2RX7SOS1TAS2R14POLB | |
| SCHEMBL2759882 | 0.81 | P2RX7 (0.45) | CTSSP2RX7SOS1TAS2R14POLB | |
| SCHEMBL20327116 | 0.80 | P2RX7 (0.47) | CTSSP2RX7SOS1IDO1TDO2 |
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-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |