Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 4/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 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 | |
|---|---|---|---|---|
| SCHEMBL8206010 | 0.89 | F10 (0.42) | ACVR1F10DRD2DRD3 | |
| SCHEMBL8206046 | 0.88 | ACVR1 (0.35) | ACVR1HDAC6HDAC3HDAC8HDAC1 | |
| SCHEMBL3172936 | 0.88 | CTSS (0.39) | — | |
| SCHEMBL8205988 | 0.86 | ACVR1 (0.43) | ACVR1F10HDAC1 | |
| SCHEMBL8193482 | 0.84 | ITK (0.41) | ACVR1TRPV1 | |
| SCHEMBL8193280 | 0.84 | HDAC6 (0.42) | ACVR1HDAC6HDAC3HDAC8F10 | |
| Trifluoroacetic Acid SCHEMBL3165670 | 0.84 | CTSS (0.36) | THRBGCGR | |
| SCHEMBL8209422 | 0.83 | DRD2 (0.37) | ACVR1F10DRD2DRD3THRB | |
| SCHEMBL8198832 | 0.83 | HDAC6 (0.43) | ACVR1HDAC6HDAC3HDAC8HDAC1 | |
| SCHEMBL8206083 | 0.82 | MEN1 (0.35) | ACVR1HDAC6HDAC3HDAC1DRD2 |
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 |