Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | NQO1 | P15559 | 6/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | CHRNE | Q04844 | 1/20 | 0.36 |
| ▸ | GNG2 | P59768 | 1/20 | 0.36 |
| ▸ | GNB1 | P62873 | 1/20 | 0.36 |
| ▸ | SELP | P16109 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL27836342 | 0.93 | KIF11 (0.42) | KIF11NQO1BCL2L1BADDRD3 | |
| SCHEMBL27525331 | 0.85 | KIF11 (0.43) | KIF11NQO1BCL2L1BADDRD3 | |
| SCHEMBL27584193 | 0.85 | GNG2 (0.47) | KIF11NQO1BCL2L1BADDRD3 | |
| Phenanthridine SCHEMBL27628907 | 0.83 | KDM4E (0.47) | KIF11NQO1CHRNESELPMEN1 | |
| Anthracene SCHEMBL28161518 | 0.80 | GNG2 (0.43) | KIF11NQO1DRD3GNG2GNB1 | |
| SCHEMBL28815383 | 0.80 | KIF11 (0.39) | KIF11NQO1DRD3GNG2GNB1 | |
| SCHEMBL30662035 | 0.79 | BCL2L1 (0.48) | KIF11NQO1BCL2L1BADDRD3 | |
| SCHEMBL27528878 | 0.79 | BCL2L1 (0.48) | KIF11NQO1BCL2L1BADDRD3 | |
| SCHEMBL28118478 | 0.78 | KIF11 (0.45) | KIF11NQO1BCL2L1BADCDK4 | |
| SCHEMBL27288088 | 0.77 | KIF11 (0.47) | KIF11NQO1BCL2L1BADDRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107936039-A | Tricyclic condensed thiophene derivant as JAK inhibitor | 因赛特公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-104918945-B | Tricyclic fused thiophene derivatives as JAK inhibitors | 因赛特公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-106470686-A | For treating the sugary oil/fat composition of tumor | 艾佳尔免疫有限公司 | 2017-03-01 | — | — | CN | disclosed |