Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27697342 | 0.86 | ROCK1 (0.36) | ROCK1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL27717206 | 0.85 | MEN1 (0.42) | ROCK1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL2652430 | 0.84 | AKR1C3 (0.45) | NPC1POLBRAB9ASMN1; SMN2GAA | |
| SCHEMBL27717209 | 0.72 | EPAS1 (0.40) | ROCK1POLB | |
| SCHEMBL2652297 | 0.71 | MAPT (0.48) | NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL27697313 | 0.71 | FGFR1 (0.42) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27618307 | 0.66 | CTDSP1 (0.47) | NPC1POLBRAB9ASMN1; SMN2GAA | |
| SCHEMBL2650071 | 0.66 | GAA (0.49) | ROCK1NPC1SMN1; SMN2CDK2CDK5 | |
| SCHEMBL2667905 | 0.65 | MAP4K4 (0.49) | NPC1POLBRAB9ASMN1; SMN2DYRK3 | |
| SCHEMBL27896220 | 0.65 | PRKCI (0.53) | NPC1RAB9AHDAC3HDAC1HDAC2 |
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 |