Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10808483 | 0.82 | CYP3A4 (0.42) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL29370250 | 0.81 | CYP3A4 (0.62) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL22210 | 0.81 | CYP3A4 (0.62) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL224067 | 0.79 | CYP3A4 (0.60) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL21624973 | 0.79 | CYP3A4 (0.46) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL28516771 | 0.78 | ALDH1A1 (0.64) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL10533148 | 0.78 | CYP3A4 (0.48) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| Alpha-Naphthylisocyanate SCHEMBL374 | 0.78 | CYP1A2 (0.64) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| Alpha-Naphthylisocyanate SCHEMBL29400034 | 0.78 | CYP1A2 (0.64) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL15431 | 0.78 | CYP3A4 (0.64) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| JP-7285925-A | — | — | None | — | — | JP | disclosed |
| JP-H07285925-A | METHOD FOR PRODUCING METHYLENE-CROSS-LINKED TRIPHENYLENE TRIISOCYANATE | MITSUI TOATSU CHEM INC | 1995-10-31 | — | — | JP | disclosed |