Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 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 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 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 | |
|---|---|---|---|---|
| SCHEMBL6259243 | 0.86 | KDM4E (0.54) | HDAC6HDAC1KDM4EALDH1A1GAA | |
| SCHEMBL5029571 | 0.84 | MKNK1 (0.55) | IKBKBEPHX2HDAC6HDAC1KDM4E | |
| SCHEMBL31078455 | 0.81 | IKBKB (0.47) | IKBKBEPHX2HDAC6HDAC1KDM4E | |
| SCHEMBL15562764 | 0.77 | HDAC1 (0.67) | IKBKBEPHX2HDAC6HDAC1KDM4E | |
| SCHEMBL27565420 | 0.75 | ESRRG (0.59) | IKBKBEPHX2HDAC6HSD17B1HSD17B2 | |
| SCHEMBL18331571 | 0.74 | ADORA2B (0.43) | ALDH1A1ADORA2BNPC1 | |
| SCHEMBL27358085 | 0.74 | IKBKB (0.69) | IKBKBEPHX2HDAC6KDM4EALDH1A1 | |
| SCHEMBL12807786 | 0.73 | HSD17B1 (0.58) | HSD17B1HSD17B2ADORA2B | |
| SCHEMBL13453331 | 0.73 | HSD17B1 (0.58) | HSD17B1HSD17B2ADORA2B | |
| SCHEMBL20893763 | 0.72 | KDM4E (0.64) | HDAC6HDAC1KDM4EALDH1A1GAA |
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-3114124-A1 | BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS | PRINCIPIA BIOPHARMA, INC. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134210-A1 | BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS | PRINCIPIA BIOPHARMA, INC. (US) | 2015-09-11 | — | — | WO | disclosed |