Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CTSS | P25774 | 9/20 | 0.61 |
| ▸ | CTSK | P43235 | 9/20 | 0.61 |
| ▸ | CTSL | P07711 | 8/20 | 0.61 |
| ▸ | CTSB | P07858 | 7/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6238444 | 0.80 | CTSK (0.62) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6237865 | 0.79 | CTSK (0.71) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6239326 | 0.78 | CTSK (0.73) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5255701 | 0.78 | CTSK (0.82) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL25722605 | 0.78 | SMN1; SMN2 (0.65) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6238487 | 0.78 | ALDH1A1 (1.00) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6241614 | 0.77 | CTSK (0.76) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12490124 | 0.76 | SMN1; SMN2 (0.63) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5253149 | 0.76 | CTSK (0.78) | KDM4EALDH1A1SMN1; SMN2CYP1A2CTSS | |
| SCHEMBL6238836 | 0.75 | KDM4E (0.58) | MAPK1HSD17B10KDM4EALDH1A1SMN1; SMN2 |
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 |