Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.34 |
| ▸ | F10 | P00742 | 4/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL8205988 | 0.89 | ACVR1 (0.43) | S1PR1ACVR1F10LCKJAK3 | |
| SCHEMBL8206010 | 0.89 | F10 (0.42) | S1PR1ACVR1F10DRD2DRD3 | |
| SCHEMBL8209422 | 0.89 | DRD2 (0.37) | ACVR1F10DRD2DRD3LCK | |
| SCHEMBL8193482 | 0.87 | ITK (0.41) | ACVR1LCKJAK3MEN1NPC1 | |
| SCHEMBL3176006 | 0.87 | CTSK (0.43) | S1PR1F10MCHR1KCNH2POLB | |
| SCHEMBL8206710 | 0.87 | TMEM97 (0.39) | ACVR1F10DRD2DRD3LCK | |
| SCHEMBL8198832 | 0.86 | HDAC6 (0.43) | ACVR1DRD2DRD3LCKJAK3 | |
| SCHEMBL8206046 | 0.86 | ACVR1 (0.35) | ACVR1DRD2DRD3LCKJAK3 | |
| SCHEMBL8193280 | 0.85 | HDAC6 (0.42) | ACVR1F10MCHR1LCKJAK3 | |
| SCHEMBL8205845 | 0.85 | HDAC1 (0.41) | MCHR1DRD2DRD3HDAC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2030621-A1 | Novel substituted pyrimidines as cysteine protease inhibitors | GLAXO GROUP LIMITED (GB) | 2009-03-04 | — | — | EP | disclosed |
| WO-2008052934-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-05-08 | — | — | WO | disclosed |