Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.31 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5650249 | 0.73 | IDO1 (0.42) | — | |
| SCHEMBL877208 | 0.68 | GRM2 (0.47) | CYP4F2CYP4A11GRM2CYP2C9S1PR3 | |
| SCHEMBL538836 | 0.67 | PTGS1 (0.47) | KMT2APDK2CYP2C9 | |
| SCHEMBL25792021 | 0.67 | CYP1A2 (0.36) | P2RX7HDAC1DHODHCSNK1DCSNK1E | |
| SCHEMBL28198655 | 0.67 | CYP11B2 (0.41) | S1PR1 | |
| SCHEMBL93021 | 0.65 | CYP4F2 (0.50) | CYP4F2CYP4A11KIF11 | |
| SCHEMBL15725317 | 0.65 | BACE1 (0.46) | CYP4F2CYP4A11KIF11S1PR1PRKAB2 | |
| SCHEMBL19568037 | 0.64 | ACSS2 (0.36) | KMT2AKDM1AHDAC1PDK2GRM2 | |
| SCHEMBL22143054 | 0.63 | USP1 (0.43) | P2RX7HDAC1KIF11 | |
| SCHEMBL15725334 | 0.62 | RARB (0.52) | CYP4F2CYP4A11HSD17B10KIF11S1PR1 |
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-107667106-A | 2 (base of Pyrazolopyridine 3) pyrimidine derivatives as JAK inhibitor | 阿尔米雷尔有限公司 | 2018-02-06 | — | — | CN | disclosed |