Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | MC5R | P33032 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9924243 | 0.91 | P2RX7 (0.39) | P2RX7NR1H4MCHR1MEN1ALDH1A1 | |
| SCHEMBL9924271 | 0.89 | P2RX7 (0.43) | P2RX7 | |
| SCHEMBL17206627 | 0.88 | KMT2A (0.42) | MCHR1MEN1ALDH1A1LMNAHPGD | |
| SCHEMBL9924426 | 0.88 | EPHX1 (0.44) | CYP3A4CYP2D6CYP2C9KCNH2NR1H4 | |
| SCHEMBL9924064 | 0.87 | CHRM1 (0.40) | P2RX7ROCK2ROCK1CYP2C9HTR7 | |
| SCHEMBL9924151 | 0.86 | EPHX2 (0.48) | P2RX7ROCK2ROCK1HTR2BMCHR1 | |
| SCHEMBL9924237 | 0.86 | SIGMAR1 (0.39) | ROCK2ROCK1CYP2C9KCNH2HTR7 | |
| SCHEMBL9924241 | 0.85 | SSTR3 (0.40) | P2RX7ROCK2ROCK1KCNH2HTR7 | |
| SCHEMBL9924238 | 0.84 | P2RX7 (0.40) | P2RX7MCHR1MEN1ALDH1A1KMT2A | |
| SCHEMBL9924268 | 0.84 | SSTR3 (0.46) | CYP3A4CYP2D6CYP2C9KCNH2NR1H4 |
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 3 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 |
| 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 |