Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC2 | Q13490 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28233194 | 1.00 | BIRC2 (0.50) | BIRC2CYP1A2MAPK1SMN1; SMN2GRIN2D | |
| SCHEMBL28234131 | 1.00 | BIRC2 (0.50) | BIRC2CYP1A2MAPK1SMN1; SMN2GRIN2D | |
| SCHEMBL11207344 | 0.90 | BIRC2 (0.53) | BIRC2CYP1A2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL30434014 | 0.82 | GRIN2D (0.67) | CYP1A2MAPK1SMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL28233190 | 0.80 | GRIN2D (0.52) | CYP1A2MAPK1SMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL5500593 | 0.79 | BIRC2 (0.53) | BIRC2CYP1A2GRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL28060414 | 0.77 | BIRC2 (0.63) | BIRC2XIAP | |
| SCHEMBL3105772 | 0.77 | BIRC2 (0.45) | BIRC2CYP1A2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29509310 | 0.77 | BIRC2 (0.45) | BIRC2CYP1A2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6249204 | 0.76 | GRIN2D (0.63) | CYP1A2MAPK1SMN1; SMN2GRIN2DGRIN3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-108419435-A | Compound and epigenetics for treating cancer | 新加坡科技研究局 | 2018-08-17 | — | — | CN | disclosed |