Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | GALR3 | O60755 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 7/20 | 0.48 |
| ▸ | CTSL | P07711 | 5/20 | 0.48 |
| ▸ | CTSB | P07858 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6238170 | 0.85 | GBA1 (0.60) | GBA1ALDH1A1MAPK1NPC1GALR3 | |
| SCHEMBL6239397 | 0.82 | GBA1 (0.62) | GBA1MAPK1SMN1; SMN2NPSR1CTSK | |
| SCHEMBL6238044 | 0.82 | GBA1 (0.62) | GBA1MAPK1SMN1; SMN2NPSR1CTSK | |
| SCHEMBL6239838 | 0.82 | NPSR1 (0.74) | GBA1ALDH1A1MAPK1NPC1GALR3 | |
| SCHEMBL5257444 | 0.80 | CTSK (0.62) | GBA1ALDH1A1MAPK1NPC1GALR3 | |
| SCHEMBL6239744 | 0.79 | GBA1 (0.63) | GBA1ALDH1A1MAPK1SMN1; SMN2NPSR1 | |
| SCHEMBL5257330 | 0.79 | CTSK (0.64) | GBA1ALDH1A1MAPK1NPC1GALR3 | |
| SCHEMBL6237944 | 0.78 | CTSK (0.49) | GBA1ALDH1A1MAPK1NPC1GALR3 | |
| SCHEMBL5254103 | 0.76 | CTSK (0.64) | GBA1ALDH1A1MAPK1NPC1GALR3 | |
| SCHEMBL6234951 | 0.75 | CTSK (0.61) | ALDH1A1SMN1; SMN2NPSR1CTSKCTSL |
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-2005011703-A1 | 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES | AKZO NOBEL N.V. (NL) | 2005-02-10 | — | — | WO | disclosed |