Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | MMP10 | P09238 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | 0.86 | TDP1 (0.70) | TDP1CTSKADORA2AADORA1 | |
| SCHEMBL5257629 | 0.78 | NR1I2 (0.56) | TDP1CTSK | |
| SCHEMBL6237210 | 0.76 | TDP1 (0.75) | TDP1CTSK | |
| SCHEMBL6239975 | 0.76 | TDP1 (0.56) | TDP1CTSKADORA2AADORA1 | |
| SCHEMBL6235242 | 0.74 | CTSK (0.76) | TDP1CTSKADORA2AADORA1 | |
| SCHEMBL5398227 | 0.73 | ALDH1A1 (0.64) | MAPK13MAPK12MAPK11MAPK14NPC1 | |
| SCHEMBL6236332 | 0.73 | TDP1 (0.66) | TDP1CTSK | |
| SCHEMBL6234331 | 0.72 | CTSK (0.68) | TDP1CTSKRAB9A | |
| SCHEMBL6240322 | 0.70 | CTSS (0.64) | TDP1CTSKADORA2AADORA1 | |
| SCHEMBL18510329 | 0.69 | IDH2 (0.52) | NPC1CYP1A2CYP2C19RAB9AL3MBTL1 |
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 2 patents. 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 |
| WO-2005011703-A1 | 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES | AKZO NOBEL N.V. (NL) | 2005-02-10 | — | — | WO | disclosed |