Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL27890725 | 0.76 | NOS3 (0.34) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL2737328 | 0.73 | ALDH1A1 (0.35) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL28150068 | 0.73 | ALDH1A1 (0.56) | ALDH1A1GAA | |
| SCHEMBL2456612 | 0.71 | ALDH1A1 (0.34) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL17368839 | 0.71 | ALDH1A1 (0.34) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL25978737 | 0.71 | ALDH1A1 (0.34) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL12796093 | 0.71 | ALDH1A1 (0.42) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL17853360 | 0.71 | ALDH1A1 (0.34) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL17489165 | 0.71 | ALDH1A1 (0.34) | ALDH1A1GAANOS3NOS1NOS2 | |
| SCHEMBL2766314 | 0.70 | ALDH1A1 (0.31) | ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1691810-A4 | SUBSTITUTED PIPERAZINES | CHEMOCENTRYX INC (US) | 2009-07-01 | — | — | EP | disclosed |
| EP-1691810-A1 | SUBSTITUTED PIPERAZINES | ChemoCentryx Inc (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005056015-A1 | SUBSTITUTED PIPERAZINES | CHEMOCENTRYX, INC. (US) | 2005-06-23 | — | — | WO | disclosed |