Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL98830 | 0.93 | ALDH1A1 (0.49) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL98561 | 0.93 | ALDH1A1 (0.50) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL98635 | 0.88 | ALDH1A1 (0.52) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL98678 | 0.86 | ALDH1A1 (0.44) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL98260 | 0.84 | ALDH1A1 (0.50) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL97423 | 0.83 | ALDH1A1 (0.51) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL98691 | 0.83 | PDE10A (0.55) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL98831 | 0.82 | PDE10A (0.41) | ALDH1A1PDE10ATSHRHPGDHSD17B10 | |
| SCHEMBL98731 | 0.81 | ALDH1A1 (0.47) | ALDH1A1NPSR1PDE10ATSHRHPGD | |
| SCHEMBL99966 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPSR1PDE10ATSHRHPGD |
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-2426130-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-03-07 | — | — | EP | disclosed |