Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.32 |
| ▸ | FABP4 | P15090 | 3/20 | 0.32 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CPT1A | P50416 | 1/20 | 0.32 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.31 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270846 | 0.90 | KCNH2 (0.32) | KCNH2P2RX3 | |
| SCHEMBL29270750 | 0.85 | P2RX3 (0.33) | P2RX3 | |
| SCHEMBL29270695 | 0.85 | HDAC6 (0.34) | CNR1CNR2 | |
| SCHEMBL29270780 | 0.85 | SHMT1 (0.31) | SHMT1SHMT2P2RX3 | |
| SCHEMBL29270721 | 0.84 | CNR2 (0.32) | CNR2 | |
| SCHEMBL29270692 | 0.84 | AGTR1 (0.36) | — | |
| SCHEMBL29270734 | 0.84 | TP53 (0.31) | — | |
| SCHEMBL29270806 | 0.84 | MDM2 (0.32) | P2RX3MDM2 | |
| SCHEMBL29270730 | 0.84 | CNR2 (0.32) | CNR1CNR2 | |
| SCHEMBL29270781 | 0.84 | TP53 (0.37) | — |
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-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |