Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 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 | |
|---|---|---|---|---|
| SCHEMBL31046 | 0.90 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL6422932 | 0.82 | TSHR (0.48) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| Propiolic Acid SCHEMBL30019370 | 0.81 | CYP2D6 (0.39) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| Acetic Acid SCHEMBL29436907 | 0.81 | FFAR3 (0.44) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| SCHEMBL6417702 | 0.80 | CYP2D6 (0.34) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| SCHEMBL6422349 | 0.80 | CYP2D6 (0.34) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| SCHEMBL6423672 | 0.80 | CYP2D6 (0.34) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| Acrylic Acid SCHEMBL29007538 | 0.75 | LMNA (0.53) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| Ethylene Glycol SCHEMBL6420421 | 0.75 | CYP2D6 (0.56) | ALDH1A1CYP2D6MAPTCYP1A2CYP2C9 | |
| Propene SCHEMBL29074345 | 0.75 | — | — |
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 2 patents. 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 |
| US-20050281968-A1 | Energetic structural material | ALLIANT TECHSYSTEMS INC. (US) | 2005-12-22 | — | — | US | disclosed |