Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.34 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.34 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7481691 | 0.84 | PIN1 (0.41) | CHEK2PLK1HDAC6ACSS2TPSAB1 | |
| Hydrochloric Acid SCHEMBL7477525 | 0.83 | PIN1 (0.40) | CHEK2PLK1HDAC6ACSS2TPSAB1 | |
| SCHEMBL7478557 | 0.82 | NPSR1 (0.43) | CHEK2TPSAB1TPSD1TPSG1JAK2 | |
| SCHEMBL7481673 | 0.82 | TPSAB1 (0.37) | CHEK2HDAC6HDAC1ACSS2TPSAB1 | |
| SCHEMBL7477456 | 0.69 | GLP1R (0.44) | PIN1 | |
| SCHEMBL7071870 | 0.69 | NPC1 (0.46) | HDAC6ACSS2TPSAB1TPSD1TPSG1 | |
| SCHEMBL7402998 | 0.69 | F10 (0.58) | TPSAB1TPSD1TPSG1F10PIK3CD | |
| SCHEMBL7408823 | 0.69 | F10 (0.59) | TPSAB1TPSD1TPSG1F10 | |
| SCHEMBL7068265 | 0.69 | NAMPT (0.43) | HDAC6 | |
| SCHEMBL7481103 | 0.69 | PIN1 (0.35) | CHEK2PLK1HDAC6HDAC1ACSS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000020400-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS | AXYS PHARMACEUTICALS, INC. (US) | 2000-04-13 | — | — | WO | claimed |
| WO-2000020400-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS | AXYS PHARMACEUTICALS, INC. (US) | 2000-04-13 | — | — | WO | disclosed |