Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13363711 | 0.88 | TDP1 (0.70) | TDP1CTSKADORA1ADORA2A | |
| SCHEMBL6237210 | 0.78 | TDP1 (0.75) | TDP1CTSK | |
| SCHEMBL12269546 | 0.78 | SYK (0.58) | — | |
| SCHEMBL6235242 | 0.76 | CTSK (0.76) | TDP1CTSKADORA1ADORA2A | |
| SCHEMBL6237018 | 0.76 | TDP1 (0.57) | TDP1CTSKADORA1ADORA2A | |
| SCHEMBL5257629 | 0.75 | NR1I2 (0.56) | TDP1CTSK | |
| SCHEMBL6234331 | 0.74 | CTSK (0.68) | TDP1CTSK | |
| SCHEMBL6240322 | 0.72 | CTSS (0.64) | TDP1CTSKADORA1ADORA2A | |
| SCHEMBL6236332 | 0.72 | TDP1 (0.66) | TDP1CTSK | |
| SCHEMBL6240473 | 0.71 | TDP1 (0.61) | TDP1CTSK |
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 |