Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 5/20 | 0.50 |
| ▸ | CTSL | P07711 | 7/20 | 0.47 |
| ▸ | CTSS | P25774 | 7/20 | 0.47 |
| ▸ | CTSK | P43235 | 7/20 | 0.47 |
| ▸ | CTSB | P07858 | 6/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6235680 | 0.85 | MAPT (0.57) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6239744 | 0.85 | GBA1 (0.63) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6238044 | 0.84 | GBA1 (0.62) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6239397 | 0.84 | GBA1 (0.62) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6238470 | 0.82 | CTSS (0.68) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6237209 | 0.82 | CTSK (0.67) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6238645 | 0.81 | GBA1 (0.51) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6272121 | 0.80 | GBA1 (0.50) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6239273 | 0.78 | GBA1 (0.53) | GBA1CTSLCTSSCTSKCTSB | |
| SCHEMBL6239305 | 0.78 | GBA1 (0.52) | GBA1CTSLCTSSCTSKCTSB |
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 |