Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22882350 | 0.86 | ESR2 (0.36) | CYP2C19CA1CA2CA4CA7 | |
| SCHEMBL14278527 | 0.86 | ESR2 (0.36) | CYP2C19CA1CA2CA4CA7 | |
| SCHEMBL1245775 | 0.86 | ESR2 (0.36) | CYP2C19CA1CA2CA4CA7 | |
| Trimethylammonium SCHEMBL28572288 | 0.80 | CA1 (0.35) | CA1CA2CA4CA7CA9 | |
| SCHEMBL19035390 | 0.79 | APLNR (0.36) | CYP2C19CA1CA2CA4CA7 | |
| Acetic Acid SCHEMBL28759584 | 0.78 | SMN1; SMN2 (0.38) | CYP2C19CA1CA2CA4CA7 | |
| SCHEMBL24052126 | 0.75 | ALOX15 (0.33) | CYP2C19CA1CA2CA4CA7 | |
| SCHEMBL19592405 | 0.73 | ALOX15 (0.35) | CYP2C19CA1CA2CA4CA7 | |
| SCHEMBL15304339 | 0.73 | GRM2 (0.50) | CYP2C19ALOX15ALDH1A1TRPA1LMNA | |
| SCHEMBL6899942 | 0.73 | ALOX15 (0.32) | CYP2C19ALOX15CYP1B1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027234-A1 | CLEANING AGENT COMPONENTS WITH DUAL-CONTROLLED FRAGRANCE RELEASE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-04-19 | — | — | WO | disclosed |