Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7531200 | 0.81 | HIF1A (0.53) | HIF1ACYP2C19SMN1; SMN2PTPN1CYP1A2 | |
| SCHEMBL27618940 | 0.75 | CYP2C19 (0.47) | HIF1ACYP2C19SMN1; SMN2CYP1A2MAPT | |
| SCHEMBL27708860 | 0.72 | CYP2C19 (0.41) | HIF1ACYP2C19SMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL2451645 | 0.67 | KCNN4 (0.45) | PTPN1CYP1A2MAPTCA1CA2 | |
| SCHEMBL6376761 | 0.67 | PTPN1 (0.44) | HIF1ACYP2C19SMN1; SMN2PTPN1CYP1A2 | |
| SCHEMBL17047062 | 0.67 | HIF1A (0.50) | HIF1ACYP2C19SMN1; SMN2PTPN1CYP1A2 | |
| SCHEMBL17047065 | 0.67 | HIF1A (0.50) | HIF1ACYP2C19SMN1; SMN2PTPN1CYP1A2 | |
| SCHEMBL28335025 | 0.67 | KCNN4 (0.41) | HIF1ACYP2C19PTPN1CYP1A2CYP2D6 | |
| SCHEMBL31026233 | 0.66 | CES1 (0.48) | HIF1ACYP2C19PTPN1CYP1A2MAPT | |
| SCHEMBL20483451 | 0.66 | CYP1A2 (0.50) | HIF1ASMN1; SMN2PTPN1CYP1A2CYP2D6 |
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-106243037-A | The substituted phenylurea of part and phenyl amide as Rhizoma et radix valerianae compounds receptor | 格吕伦塔尔有限公司 | 2016-12-21 | — | — | CN | disclosed |