Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 10/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28299548 | 0.81 | HDAC6 (0.63) | HDAC6HSP90AA1HSP90AB1CYP1A2KDM4E | |
| SCHEMBL6343841 | 0.81 | ADRA1D (0.44) | HDAC6SLC2A1LMNAKDM4EALDH1A1 | |
| SCHEMBL6946592 | 0.77 | HDAC6 (0.62) | HDAC6HSP90AA1HSP90AB1CYP1A2TLR7 | |
| SCHEMBL6944465 | 0.77 | HDAC6 (0.55) | HDAC6HSP90AA1HSP90AB1CYP1A2LMNA | |
| SCHEMBL11146983 | 0.75 | ALDH1A1 (0.46) | SLC2A1LMNATLR7KDM4EALDH1A1 | |
| SCHEMBL4961031 | 0.75 | HDAC6 (0.52) | HDAC6HSP90AA1HSP90AB1CYP1A2KDM4E | |
| SCHEMBL6945092 | 0.73 | HDAC6 (0.64) | HDAC6HSP90AA1HSP90AB1CYP1A2LMNA | |
| SCHEMBL6950880 | 0.73 | HTT (0.54) | HDAC6HSP90AA1HSP90AB1CYP1A2LMNA | |
| SCHEMBL14642669 | 0.72 | CDK1 (0.56) | HDAC6HSP90AA1HSP90AB1SLC29A1TLR7 | |
| SCHEMBL6947944 | 0.72 | ALDH1A1 (0.56) | HDAC6HSP90AA1HSP90AB1SLC2A1CYP1A2 |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |