Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6419289 | 0.90 | ALDH1A1 (0.37) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL6419235 | 0.90 | ALDH1A1 (0.41) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL15803990 | 0.81 | LMNA (0.30) | HSD17B10 | |
| SCHEMBL6420417 | 0.79 | DGKA (0.41) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL6423668 | 0.79 | MAPK1 (0.34) | MAPK1HIF1ACYP3A4 | |
| SCHEMBL27413214 | 0.79 | L3MBTL1 (0.35) | GSTP1 | |
| SCHEMBL17935634 | 0.78 | MEN1 (0.37) | MAPK1HIF1A | |
| SCHEMBL6417678 | 0.77 | CYP1A2 (0.40) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL10009581 | 0.77 | MEN1 (0.42) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL10011515 | 0.77 | GSTP1 (0.49) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050281968-A1 | Energetic structural material | ALLIANT TECHSYSTEMS INC. (US) | 2005-12-22 | — | — | US | claimed |