Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 2/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL3927297 | 0.93 | TACR1 (0.40) | TACR1HDAC2HDAC1PARP1CNR1 | |
| SCHEMBL3931010 | 0.89 | TACR1 (0.35) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2429952 | 0.87 | TACR1 (0.35) | TACR1HDAC2HDAC1PARP1CNR1 | |
| SCHEMBL2429954 | 0.87 | TACR1 (0.35) | TACR1HDAC2HDAC1PARP1CNR1 | |
| SCHEMBL3937761 | 0.82 | TACR1 (0.38) | TACR1HDAC2HDAC1CNR1CNR2 | |
| SCHEMBL2425718 | 0.80 | TACR1 (0.37) | TACR1HDAC2HDAC1PARP1CNR1 | |
| SCHEMBL2425716 | 0.80 | TACR1 (0.37) | TACR1HDAC2HDAC1PARP1CNR1 | |
| SCHEMBL2426430 | 0.79 | TACR1 (0.35) | TACR1HDAC2HDAC1PARP1CNR1 | |
| SCHEMBL2428513 | 0.79 | TACR1 (0.35) | TACR1HDAC2HDAC1PARP1CNR1 | |
| SCHEMBL12290304 | 0.79 | TACR1 (0.58) | TACR1SLC6A4KCNH2 |
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 |