Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15562148 | 0.85 | ALDH1A1 (0.44) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL9740708 | 0.81 | ALDH1A1 (0.41) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| Sulfuric Acid SCHEMBL10708662 | 0.79 | CYP1A2 (0.48) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| Ammonia Solution, Strong SCHEMBL28352063 | 0.78 | CYP2C9 (0.39) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL497026 | 0.77 | ALDH1A1 (0.47) | CYP2C9CYP2C19ALDH1A1CYP1A2LMNA | |
| SCHEMBL27974155 | 0.77 | ALDH1A1 (0.47) | CYP2C9CYP2C19ALDH1A1CYP1A2LMNA | |
| SCHEMBL17184098 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HPGDGAAMEN1KMT2A | |
| SCHEMBL11672371 | 0.76 | ALDH1A1 (0.54) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL6248166 | 0.76 | ALDH1A1 (0.54) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL6656867 | 0.76 | ALDH1A1 (0.42) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD |
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-5278292-A | Aromatic sulfonyl water-soluble color materials | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-01-11 | — | — | US | disclosed |