Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | BCR | P11274 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6778392 | 0.93 | CES1 (0.49) | ABL1ABCB1BCRCES1BACE1 | |
| SCHEMBL6723582 | 0.84 | CHKA (0.41) | CES1EGFRPTPN1KDM4EHPGD | |
| SCHEMBL6723411 | 0.84 | PTPN1 (0.42) | CES1EGFRPTPN1HPGDHTR7 | |
| SCHEMBL6778756 | 0.83 | MTNR1A (0.49) | LMNAKDM4E | |
| SCHEMBL27498154 | 0.82 | PTPN1 (0.41) | CES1LMNAMAPTEGFRPTPN1 | |
| SCHEMBL13241204 | 0.80 | EGFR (0.50) | CES1NPC1LMNAMAPTCA4 | |
| SCHEMBL13826147 | 0.80 | TAAR1 (0.39) | CES1PTPN1KDM4EHPGDHTR7 | |
| SCHEMBL6723970 | 0.80 | TAAR1 (0.39) | CES1PTPN1KDM4EHPGDHTR7 | |
| SCHEMBL6723824 | 0.80 | TAAR1 (0.39) | CES1PTPN1KDM4EHPGDHTR7 | |
| SCHEMBL6723985 | 0.80 | TAAR1 (0.39) | CES1PTPN1KDM4EHPGDHTR7 |
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-111377964-B | Pyrazole-triazole phosphine compound and application thereof | 联化科技(上海)有限公司 | 2021-04-02 | — | — | CN | disclosed |