Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 10/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL184451 | 0.84 | ADRA1A (0.55) | ADRA1AADRA2AADRA1DADRA1BHTR2B | |
| SCHEMBL3394059 | 0.83 | ADRA1A (0.59) | ADRA1AADRA2AADRA1DADRA1BHTR2B | |
| SCHEMBL7856564 | 0.82 | ADRA1A (0.53) | ADRA1AADRA2AADRA1DADRA1BHTR2B | |
| SCHEMBL724530 | 0.82 | ADRA1A (0.53) | ADRA1AADRA2AADRA1DADRA1BHTR2B | |
| SCHEMBL1133528 | 0.82 | ADRA1A (0.53) | ADRA1AADRA2AADRA1DADRA1BHTR2B | |
| SCHEMBL25446497 | 0.81 | ADRA1A (0.40) | ADRA1AADRA2AADRA1DADRA1BHTR2B | |
| Hydrochloric Acid SCHEMBL11394021 | 0.80 | ADRA1A (0.52) | ADRA1AADRA2AADRA1DADRA1BHTR2B | |
| SCHEMBL1494449 | 0.79 | — | — | |
| SCHEMBL196337 | 0.79 | — | — | |
| SCHEMBL21573835 | 0.76 | ADRA1A (0.52) | ADRA1AADRA2AADRA1DADRA1BHTR2B |
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-2011162562-A2 | [6+5] FUSED BICYCLES AS A THROMBIN ANTAGONIST, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE BICYCLES | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2011-12-29 | — | — | WO | disclosed |