Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 7/20 | 0.46 |
| ▸ | TACR1 | P25103 | 4/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2423912 | 0.84 | ACACB (0.45) | ACACBTACR1NAMPTHDAC1HDAC2 | |
| SCHEMBL2430727 | 0.83 | ACACB (0.44) | ACACBTACR1NAMPTHDAC1HDAC2 | |
| SCHEMBL2424824 | 0.83 | ACACB (0.44) | ACACBTACR1NAMPTHDAC1HDAC2 | |
| SCHEMBL2424822 | 0.83 | ACACB (0.44) | ACACBTACR1NAMPTHDAC1HDAC2 | |
| SCHEMBL2425177 | 0.82 | TACR1 (0.57) | ACACBTACR1SLC6A4KCNH2 | |
| SCHEMBL2424827 | 0.82 | ACACB (0.43) | ACACBTACR1NAMPTSLC6A4KCNH2 | |
| SCHEMBL3932000 | 0.82 | TACR1 (0.38) | ACACBTACR1SLC6A4KCNH2 | |
| SCHEMBL2424361 | 0.81 | ACACB (0.43) | ACACBTACR1NAMPTHDAC1HDAC2 | |
| SCHEMBL2424900 | 0.81 | ACACB (0.43) | ACACBTACR1NAMPTHDAC1HDAC2 | |
| SCHEMBL2430951 | 0.81 | ACACB (0.43) | ACACBTACR1NAMPTHDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |