Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 8/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9924245 | 0.90 | EPHX2 (0.49) | EPHX2P2RX7MCHR1 | |
| SCHEMBL9924235 | 0.90 | EPHX2 (0.46) | EPHX2MCHR1HTR1AADRA2AADRA1A | |
| SCHEMBL9924234 | 0.90 | EPHX2 (0.41) | EPHX2P2RX7MCHR1HTR1AADRA2A | |
| SCHEMBL9924272 | 0.86 | P2RX7 (0.41) | P2RX7MCHR1HTR2BROCK2ROCK1 | |
| SCHEMBL9924253 | 0.86 | MAPK1 (0.43) | EPHX2P2RX7MCHR1HTR1AADRA2A | |
| SCHEMBL9924246 | 0.85 | P2RX7 (0.43) | EPHX2P2RX7MCHR1HTR1AADRA2A | |
| SCHEMBL17206715 | 0.85 | EPHX2 (0.42) | EPHX2P2RX7MCHR1HTR1AADRA2A | |
| SCHEMBL17206701 | 0.82 | MCHR1 (0.44) | EPHX2MCHR1HTR1AADRA2AADRA1A | |
| SCHEMBL9924064 | 0.82 | CHRM1 (0.40) | P2RX7MCHR1ROCK2ROCK1 | |
| SCHEMBL9924073 | 0.81 | MCHR1 (0.46) | MCHR1HTR1AADRA2AADRA1AHRH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9169199-B2 | Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2015-10-27 | — | — | US | disclosed |
| WO-2012078867-A2 | CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |