Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1739336 | 0.83 | NPC1 (0.40) | NPC1HCAR2APAF1ALDH1A1KDM4E | |
| SCHEMBL1739254 | 0.70 | ALDH1A1 (0.43) | NPC1ALDH1A1KDM4EMAPK1 | |
| SCHEMBL23757851 | 0.68 | NPC1 (0.44) | NPC1HCAR2APAF1ALDH1A1KDM4E | |
| SCHEMBL22436736 | 0.68 | HCAR2 (0.37) | NPC1HCAR2LMNAGRIA2GRIA4 | |
| SCHEMBL12181057 | 0.68 | ALDH1A1 (0.42) | NPC1ALDH1A1KDM4ELMNATSHR | |
| SCHEMBL23402426 | 0.65 | GRIA1 (0.34) | KDM4EGRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL23400456 | 0.65 | KDM4E (0.33) | KDM4EGRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL23402404 | 0.65 | GRIA1 (0.34) | GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL23402145 | 0.65 | ADORA2A (0.35) | APAF1KDM4ELMNAGRIA1GRIA2 | |
| SCHEMBL28780937 | 0.65 | KDM4E (0.34) | NPC1APAF1KDM4E |
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-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |