Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9506021 | 1.00 | PNP (0.53) | PNPHDAC6HSP90AA1HSP90AB1HDAC1 | |
| SCHEMBL9502871 | 0.85 | HSP90AA1 (0.53) | HDAC6HSP90AA1HSP90AB1HDAC1HDAC4 | |
| SCHEMBL9503685 | 0.78 | HDAC6 (0.54) | HDAC6HSP90AA1HSP90AB1HDAC1HDAC4 | |
| SCHEMBL3394076 | 0.73 | HSP90AB1 (0.68) | HDAC6HSP90AA1HSP90AB1HDAC1HDAC4 | |
| SCHEMBL9503571 | 0.72 | CYP4F2 (0.37) | PNPHDAC4 | |
| SCHEMBL9503578 | 0.72 | CYP4F2 (0.37) | PNPHDAC4 | |
| SCHEMBL6272417 | 0.72 | ALDH1A1 (0.66) | PNPHDAC6HSP90AA1HSP90AB1HDAC1 | |
| SCHEMBL9502893 | 0.71 | PNP (0.69) | PNPHDAC6HSP90AA1HSP90AB1HDAC1 | |
| SCHEMBL9506694 | 0.71 | PNP (0.70) | PNPHDAC6HSP90AA1HSP90AB1HDAC1 | |
| SCHEMBL9504476 | 0.70 | PNP (0.55) | PNPHDAC6HSP90AA1HSP90AB1HDAC1 |
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-0550574-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992005180-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-04-02 | — | — | WO | disclosed |