Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 5/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28033559 | 0.79 | PARP1 (0.63) | PARP1DGAT1KCNH2SOAT1 | |
| SCHEMBL28034096 | 0.76 | PARP1 (0.46) | HDAC6NPY5RDRD4PARP1DGAT1 | |
| SCHEMBL28034104 | 0.75 | PARP1 (0.61) | NPY5RPARP1 | |
| SCHEMBL28034192 | 0.74 | HDAC6 (0.48) | HDAC6NPY5RPARP1ADRA1AEGLN1 | |
| SCHEMBL14046593 | 0.72 | NPC1 (0.70) | HDAC6NPY5RPARP1RAB9AADRA1A | |
| SCHEMBL22484548 | 0.72 | KCNQ3 (0.48) | RAB9AMAPT | |
| SCHEMBL4105526 | 0.71 | DGAT1 (0.62) | PARP1DGAT1KCNH2SOAT1 | |
| SCHEMBL19175768 | 0.69 | DGAT1 (0.64) | DGAT1KCNH2ADORA2ASOAT1 | |
| SCHEMBL22481491 | 0.69 | NPY5R (0.60) | HDAC6NPY5RRAB9AADRA1AEGLN1 | |
| SCHEMBL12368064 | 0.69 | MAPT (0.54) | DGAT1RAB9AMAPTNPC1 |
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-104981468-A | Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition thereof, preparation method and use thereof | SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD | 2015-10-14 | — | — | CN | disclosed |