Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3814088 | 0.92 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL28070263 | 0.91 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL22210 | 0.87 | CYP3A4 (0.62) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL29370250 | 0.87 | CYP3A4 (0.62) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL8189654 | 0.82 | CYP3A4 (0.77) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| 1,6-Hexanediol SCHEMBL7029490 | 0.82 | CYP3A4 (0.39) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL28831497 | 0.81 | CYP3A4 (0.56) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL5573537 | 0.79 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL27066 | 0.78 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL29405309 | 0.78 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2ALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0651754-A4 | BIS-STAUROSPORINE AND K-252a DERIVATIVES. | CEPHALON INC (US) | 1995-08-09 | — | — | EP | disclosed |
| EP-0651754-A1 | BIS-STAUROSPORINE AND K-252a DERIVATIVES. | CEPHALON INC (US) | 1995-05-10 | — | — | EP | disclosed |
| WO-1994002488-A1 | BIS-STAUROSPORINE AND K-252a DERIVATIVES | CEPHALON, INC. (US) | 1994-02-03 | — | — | WO | disclosed |