Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | APEX1 | P27695 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | PHLPP2 | Q6ZVD8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16153631 | 0.95 | CYP3A4 (0.50) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL11926252 | 0.90 | CYP1A2 (0.47) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL10050895 | 0.88 | CYP1A2 (0.44) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL17119178 | 0.88 | CYP1A2 (0.45) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL16153629 | 0.88 | CYP1A2 (0.47) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL17791858 | 0.87 | CYP1A2 (0.40) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL17791860 | 0.86 | CYP1A2 (0.40) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL16153648 | 0.85 | CYP3A4 (0.42) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL16153635 | 0.85 | CYP1A2 (0.39) | CYP3A4HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL13909453 | 0.85 | CD40 (0.47) | CYP3A4HPGDHSD17B10MEN1THRB |
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-20140299020-A1 | WATER-BASED BLACK INK COMPOSITION, INKJET RECORDING METHOD USING SAME, AND COLORED BODY | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2014-10-09 | — | — | US | disclosed |