Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | CCR2 | P41597 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27363685 | 0.70 | MAOA (0.52) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| 1-Naphthylisothiocyanate SCHEMBL29354904 | 0.68 | ALDH1A1 (1.00) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| 1-Naphthylisothiocyanate SCHEMBL419795 | 0.68 | ALDH1A1 (1.00) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| SCHEMBL207554 | 0.67 | ALDH1A1 (0.62) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| SCHEMBL29374052 | 0.67 | ALDH1A1 (0.62) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| 1-Naphthylisothiocyanate SCHEMBL27487887 | 0.67 | ALDH1A1 (0.96) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| 1-Naphthylisothiocyanate SCHEMBL27570428 | 0.67 | ALDH1A1 (0.96) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| SCHEMBL98105 | 0.67 | MEN1 (0.38) | CYP1A2CYP3A4TDP1SLC6A4MAOA | |
| SCHEMBL330963 | 0.66 | ALDH1A1 (0.56) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 | |
| SCHEMBL1997655 | 0.66 | ALDH1A1 (0.75) | CYP1A2CYP3A4TDP1ALDH1A1SLC6A4 |
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-4398028-A | HYPOTENSIVE, MUSCLE RELAXANTS | SANDOZ LTD. (CH) | 1983-08-09 | — | — | US | disclosed |
| US-4297490-A | HYPOTENSIVE AND ANTISPASMODIC AGENTS | SANDOZ LTD. (CH) | 1981-10-27 | — | — | US | disclosed |