Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4375192 | 0.76 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL10586575 | 0.72 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10611848 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL23581917 | 0.70 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10497058 | 0.70 | — | — | |
| SCHEMBL3861417 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL3083723 | 0.67 | PYCR1 (0.34) | ALDH1A1 | |
| Bromide SCHEMBL5889217 | 0.67 | PYCR1 (0.34) | ALDH1A1 | |
| Biphenyl SCHEMBL11498048 | 0.64 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL4155291 | 0.64 | TSHR (0.33) | TSHR |
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-6034050-A | EXTRUDED DETERGENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-03-07 | — | — | US | disclosed |