Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 2/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL325377 | 0.89 | ADRA2A (0.36) | ADRA2AADRA2BADRA2CCYP1A2IDH1 | |
| SCHEMBL450139 | 0.76 | — | — | |
| SCHEMBL29416448 | 0.75 | NNMT (0.44) | ADRA2AADRA2BADRA2CTSHRNPY5R | |
| SCHEMBL38950 | 0.75 | NNMT (0.44) | ADRA2AADRA2BADRA2CTSHRNPY5R | |
| SCHEMBL2608519 | 0.73 | TSHR (0.41) | ADRA2AADRA2BADRA2CTSHRNPY5R | |
| Hydrochloric Acid SCHEMBL31063054 | 0.73 | NNMT (0.42) | ADRA2AADRA2BADRA2CTSHRNPY5R | |
| Hydrochloric Acid SCHEMBL21777851 | 0.73 | NNMT (0.42) | ADRA2AADRA2BADRA2CTSHRNPY5R | |
| SCHEMBL30903257 | 0.73 | TSHR (0.41) | ADRA2AADRA2BADRA2CTSHRNPY5R | |
| SCHEMBL6641301 | 0.70 | NNMT (0.38) | TSHRNPY5RGRM5NUDT1 | |
| SCHEMBL29376210 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |