Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 3/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947049 | 1.00 | MAP4K4 (0.46) | MAP4K4ABL1RPS6KA3ADORA1PTGS2 | |
| SCHEMBL30738303 | 0.90 | ABL1 (0.42) | MAP4K4ABL1RPS6KA3ADORA1PTGS2 | |
| SCHEMBL22179960 | 0.90 | ABL1 (0.42) | MAP4K4ABL1RPS6KA3ADORA1PTGS2 | |
| SCHEMBL21621299 | 0.89 | ADORA1 (0.46) | MAP4K4ABL1RPS6KA3ADORA1PTGS2 | |
| SCHEMBL21621290 | 0.88 | MAP4K4 (0.46) | MAP4K4ABL1ADORA1ADORA2A | |
| SCHEMBL29947043 | 0.88 | MAP4K4 (0.46) | MAP4K4ABL1ADORA1ADORA2A | |
| SCHEMBL22179961 | 0.84 | CFTR (0.41) | MAP4K4ABL1RPS6KA3ADORA1PTGS2 | |
| SCHEMBL22180265 | 0.84 | ABL1 (0.47) | ABL1RPS6KA3LMNAUSP2CYP1A2 | |
| SCHEMBL22179956 | 0.84 | NPC1 (0.42) | ADORA1PTGS2LMNAUSP2CYP1A2 | |
| SCHEMBL30738323 | 0.84 | ABL1 (0.47) | ABL1RPS6KA3LMNAUSP2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020011220-A1 | HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-01-16 | — | — | WO | disclosed |