Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.94 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.94 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.94 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.94 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.71 |
| ▸ | GALR3 | O60755 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | CTSK | P43235 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | CTSS | P25774 | 1/20 | 0.50 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL6238487 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6235670 | 0.86 | ALDH1A1 (0.96) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6266358 | 0.86 | ALDH1A1 (0.96) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL5252246 | 0.83 | ALDH1A1 (0.74) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6240207 | 0.75 | MAPK1 (0.63) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6239326 | 0.75 | CTSK (0.73) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL8973821 | 0.74 | HTT (0.63) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL28630449 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL15386410 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL28998047 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; 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 |