Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.33 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27697339 | 0.86 | ROCK1 (0.40) | ROCK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27717209 | 0.85 | EPAS1 (0.40) | ROCK1POLBMEN1ALDH1A1MAPT | |
| SCHEMBL2652430 | 0.80 | AKR1C3 (0.45) | NPC1POLBRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL27717206 | 0.72 | MEN1 (0.42) | ROCK1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL27697316 | 0.70 | FGFR1 (0.39) | NPC1RAB9AALDH1A1 | |
| SCHEMBL27618309 | 0.66 | CTDSP1 (0.44) | NPC1POLBRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL2667905 | 0.65 | MAP4K4 (0.49) | NPC1POLBRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL27896222 | 0.65 | PRKCI (0.45) | NPC1RAB9AALDH1A1MAPTGAA | |
| SCHEMBL27597646 | 0.63 | MAPT (0.41) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL15606529 | 0.61 | CDK2 (0.43) | HDAC4NPC1POLBRAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101141958-A | Benzimidazole derivatives and their use for modulating GABAAUse of receptor complexes | NEUROSEARCH AS (DK) | 2008-03-12 | — | — | CN | disclosed |