Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.38 |
| ▸ | PDE4A | P27815 | 5/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1739254 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KMT2AKDM4EMEN1THRB | |
| SCHEMBL12181057 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KMT2AKDM4EMEN1THRB | |
| SCHEMBL1741283 | 0.82 | NPC1 (0.39) | ALDH1A1KDM4EMAPK1NPC1 | |
| SCHEMBL19618980 | 0.72 | ALDH1A1 (0.39) | ALDH1A1KMT2APDE4BPDE4APDE4C | |
| SCHEMBL17478477 | 0.72 | PDE4A (0.36) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL19615264 | 0.72 | ALDH1A1 (0.40) | ALDH1A1KDM4EPDE4ASMN1; SMN2MAPT | |
| SCHEMBL1739336 | 0.72 | NPC1 (0.40) | ALDH1A1KMT2AKDM4EMEN1THRB | |
| SCHEMBL19615850 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4EPDE4ASMN1; SMN2MAPT | |
| SCHEMBL19615364 | 0.70 | NPC1 (0.36) | ALDH1A1KDM4EHPGDPDE4BPDE4A | |
| SCHEMBL19615438 | 0.70 | SLC5A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2MAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |