Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4530998 | 0.90 | HDAC1 (0.47) | HDAC1HDAC6HTTHDAC2HPGD | |
| SCHEMBL4542188 | 0.88 | HDAC1 (0.43) | HDAC1HDAC6HTTHDAC2HPGD | |
| SCHEMBL4542862 | 0.87 | HTT (0.45) | HDAC1HDAC6HTTHPGDTP53 | |
| SCHEMBL4534986 | 0.84 | HDAC1 (0.44) | HDAC1HDAC6HTTHDAC2HPGD | |
| SCHEMBL4539338 | 0.84 | CTSL (0.47) | HDAC1HDAC6HTTHPGDTP53 | |
| SCHEMBL4539184 | 0.84 | HDAC1 (0.43) | HDAC1HDAC6HTTHDAC2HPGD | |
| SCHEMBL3695022 | 0.84 | HDAC1 (0.46) | HDAC1HDAC6HTTHPGDMAPT | |
| SCHEMBL4541032 | 0.82 | MAPT (0.47) | HDAC1HDAC6HTTHPGDTP53 | |
| SCHEMBL4564684 | 0.81 | HDAC1 (0.42) | HDAC1HDAC6HTTHPGDTP53 | |
| SCHEMBL4539397 | 0.81 | PDE10A (0.41) | HDAC1HDAC6HTTHPGDTP53 |
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-2637669-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |