Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7732 | 0.89 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL11144 | 0.89 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL7613 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL12276674 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL13741611 | 0.75 | KDM4E (0.64) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL4038334 | 0.74 | ALDH1A1 (0.74) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL3262118 | 0.73 | LMNA (0.61) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL17259302 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL13858612 | 0.73 | ALDH1A1 (0.61) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL11391965 | 0.73 | MAPK1 (0.70) | ALDH1A1KDM4EHSD17B10HPGDALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |