Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6417702 | 1.00 | CYP2D6 (0.34) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6422349 | 1.00 | CYP2D6 (0.34) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31046 | 0.83 | — | — | |
| Ethylene Glycol SCHEMBL6423397 | 0.80 | ALDH1A1 (0.39) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6419296 | 0.78 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6418340 | 0.78 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6419236 | 0.78 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| Propiolic Acid SCHEMBL30019370 | 0.75 | CYP2D6 (0.39) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL29436907 | 0.75 | FFAR3 (0.44) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4358096 | 0.74 | ALDH1A1 (0.64) | ALDH1A1TSHR |
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 |