Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6418340 | 1.00 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6419236 | 1.00 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8803 | 0.85 | — | — | |
| Ethylene Glycol SCHEMBL6420421 | 0.83 | CYP2D6 (0.56) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL2121345 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL15140025 | 0.83 | — | — | |
| SCHEMBL2454991 | 0.78 | CYP2D6 (0.56) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6422349 | 0.78 | CYP2D6 (0.34) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6417702 | 0.78 | CYP2D6 (0.34) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6423672 | 0.78 | CYP2D6 (0.34) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 |
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 |