Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 11/20 | 0.83 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | OGG1 | O15527 | 1/20 | 0.50 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL70930 | 0.91 | GSK3B (1.00) | GSK3BPTPN1HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL9064086 | 0.89 | GSK3B (0.95) | GSK3BPTPN1HDAC3HDAC4HDAC1 | |
| SCHEMBL973263 | 0.85 | GSK3B (0.87) | GSK3BPTPN1HDAC3HDAC4HDAC1 | |
| SCHEMBL205280 | 0.82 | GSK3B (0.80) | GSK3BPTPN1HDAC3HDAC4HDAC1 | |
| SCHEMBL3379031 | 0.80 | GSK3B (0.64) | GSK3BPTPN1CA2 | |
| SCHEMBL8260473 | 0.80 | GSK3B (0.77) | GSK3BPTPN1HDAC3HDAC4HDAC1 | |
| Acetonitrile SCHEMBL27909938 | 0.80 | GSK3B (0.77) | GSK3BPTPN1HDAC3HDAC4HDAC1 | |
| SCHEMBL247615 | 0.78 | GSK3B (0.70) | GSK3BPTPN1CA1CA2 | |
| SCHEMBL11405057 | 0.77 | GSK3B (0.59) | GSK3BPTPN1 | |
| SCHEMBL11060497 | 0.77 | OGG1 (0.63) | GSK3BHDAC3HDAC4HDAC1HDAC7 |
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-2337781-A2 | ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION | Abbott Laboratories (US) | 2011-06-29 | — | — | EP | disclosed |
| WO-2010144646-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-12-16 | — | — | WO | disclosed |