Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.50 |
| ▸ | SMO | Q99835 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RORB | Q92753 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4191610 | 0.80 | MAOB (0.40) | RXFP1PARP1POLBCYP1A2PTPN1 | |
| SCHEMBL16597147 | 0.77 | PDE10A (0.57) | DHODHPOLBCYP1A2LMNACYP2C9 | |
| SCHEMBL19413117 | 0.77 | DHODH (0.46) | DHODHTP53KDM4E | |
| SCHEMBL19646360 | 0.77 | DHODH (0.43) | DHODHRXFP1POLBTHRBTP53 | |
| SCHEMBL457871 | 0.75 | DHODH (0.44) | DHODHRXFP1NPSR1CYP1A2PTGS2 | |
| SCHEMBL29617462 | 0.74 | DHODH (0.44) | DHODHTP53LMNAKDM4E | |
| SCHEMBL27802982 | 0.74 | DHODH (0.43) | DHODHTHRBLMNAKDM4E | |
| SCHEMBL1880602 | 0.74 | DHODH (0.46) | DHODHTP53NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9958654 | 0.72 | DHODH (0.49) | DHODHHSD11B1CYP1A2LMNAKDM4E | |
| SCHEMBL26617907 | 0.72 | KEAP1 (0.47) | RXFP1TP53LMNAKDM4ECA12 |
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-109516974-B | Preparation method of substituted pyrimidine PI3K inhibitor | 南京圣和药业股份有限公司 | 2022-05-27 | — | — | CN | disclosed |