Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 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 | |
|---|---|---|---|---|
| SCHEMBL7996413 | 0.87 | KDR (0.35) | KDRPIM1P2RX3HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL1071131 | 0.86 | KDR (0.35) | KDRPIM1P2RX3HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL3494749 | 0.78 | STING1 (0.36) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL2897201 | 0.78 | STING1 (0.36) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL1073116 | 0.74 | PIM1 (0.36) | KDRPIM1P2RX3HTR3EHTR3B | |
| SCHEMBL8277445 | 0.73 | PDPK1 (0.34) | KDRPIM1HTR3EHTR3BHTR3A | |
| SCHEMBL12963793 | 0.71 | STING1 (0.30) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL12035328 | 0.69 | KDM4E (0.46) | KDRPIM1CHEK2 | |
| SCHEMBL12335771 | 0.69 | NTSR1 (0.42) | PIM1HTR3A | |
| SCHEMBL8222303 | 0.69 | PIM1 (0.41) | KDRPIM1CHEK2 |
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-2008057208-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-15 | — | — | WO | disclosed |