Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 9-Benzyl-9H-Purine SCHEMBL434620 | 0.84 | HDAC1 (0.61) | HDAC1HDAC6LMNACYP11B1CYP11B2 | |
| SCHEMBL28195658 | 0.84 | HDAC1 (0.58) | HDAC1HDAC6LMNACYP11B1CYP11B2 | |
| SCHEMBL6946826 | 0.81 | HDAC6 (0.62) | HDAC1HDAC6LMNALTA4HFDPS | |
| SCHEMBL12472771 | 0.79 | HDAC6 (0.72) | HDAC1HDAC6LMNACYP11B2SMN1; SMN2 | |
| SCHEMBL15705713 | 0.79 | HDAC6 (0.80) | HDAC1HDAC6LTA4HFDPSMEN1 | |
| SCHEMBL30983905 | 0.77 | HDAC1 (0.45) | HDAC1HDAC6LMNACYP11B1CYP11B2 | |
| SCHEMBL12472812 | 0.77 | HDAC6 (1.00) | HDAC1HDAC6FDPSMEN1KMT2A | |
| SCHEMBL6945092 | 0.77 | HDAC6 (0.64) | HDAC1HDAC6LMNACYP11B1CYP11B2 | |
| SCHEMBL31229302 | 0.76 | CYP11B1 (0.66) | LMNACYP11B1CYP11B2HTTSMN1; SMN2 | |
| SCHEMBL29914166 | 0.75 | USP1 (0.57) | HDAC1HDAC6LTA4HCYP1A2CYP2C19 |
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 3 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 |
| CN-1135485-A | 2,9-di-substituted pur-6-ones compound | BAYER AG (DE) | 1996-11-13 | — | — | CN | disclosed |