Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | DDX3X | O00571 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1964639 | 0.89 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ALMNACSNK1A1 | |
| SCHEMBL1968944 | 0.83 | BCAT2 (0.43) | NPC1RAB9ACSNK1A1TYRO3DYRK1B | |
| SCHEMBL1966405 | 0.75 | BCAT2 (0.40) | ALDH1A1NPC1RAB9ALMNACSNK1A1 | |
| SCHEMBL1968590 | 0.74 | SMN1; SMN2 (0.54) | ALDH1A1NPC1RAB9ALMNAPTGER3 | |
| SCHEMBL1965022 | 0.74 | BCAT2 (0.44) | NPC1RAB9ACSNK1A1TYRO3DYRK1B | |
| SCHEMBL18584726 | 0.72 | BCAT2 (0.61) | NPC1RAB9ACSNK1A1TYRO3DYRK1B | |
| SCHEMBL28946413 | 0.67 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ALMNAPTGER3 | |
| SCHEMBL1270130 | 0.66 | CTSA (0.50) | ALDH1A1NPC1RAB9ALMNACSNK1A1 | |
| SCHEMBL1488483 | 0.65 | GSK3B (0.37) | ALDH1A1NPC1RAB9ALMNADYRK1B | |
| SCHEMBL7033171 | 0.65 | BCAT2 (0.49) | ALDH1A1NPC1RAB9ALMNACSNK1A1 |
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-2334670-A1 | NEW 2-AMIDOTHIADIAZOLE DERIVATIVES | Almirall S.A. (ES) | 2011-06-22 | — | — | EP | disclosed |