Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GCGR | P47871 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8205988 | 0.91 | ACVR1 (0.43) | ACVR1JAK3POLBLCKMEN1 | |
| SCHEMBL8193482 | 0.89 | ITK (0.41) | ACVR1TRPV1JAK3POLBLCK | |
| SCHEMBL8203793 | 0.88 | ACVR1 (0.35) | ACVR1TRPV1HDAC6HDAC3HDAC8 | |
| SCHEMBL8193280 | 0.87 | HDAC6 (0.42) | ACVR1HDAC6HDAC3HDAC8JAK3 | |
| SCHEMBL3169583 | 0.87 | CTSS (0.41) | GCGRITK | |
| SCHEMBL8206010 | 0.86 | F10 (0.42) | ACVR1JAK3LCKDRD2DRD3 | |
| SCHEMBL8209422 | 0.86 | DRD2 (0.37) | ACVR1TRPV1JAK3GAALCK | |
| SCHEMBL8198832 | 0.86 | HDAC6 (0.43) | ACVR1HDAC6HDAC3HDAC8JAK3 | |
| SCHEMBL8209425 | 0.86 | S1PR1 (0.35) | ACVR1HDAC6HDAC3JAK3POLB | |
| SCHEMBL8206083 | 0.85 | MEN1 (0.35) | ACVR1TRPV1HDAC6HDAC3JAK3 |
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-2008052934-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-05-08 | — | — | WO | disclosed |