Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 3/20 | 0.33 |
| ▸ | MIF | P14174 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL719741 | 0.97 | CYP3A4 (0.69) | CYP3A4GABRA1GABRB2KEAP1NFE2L2 | |
| SCHEMBL8189654 | 0.88 | CYP3A4 (0.77) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL28070263 | 0.81 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2KEAP1NFE2L2 | |
| SCHEMBL15092 | 0.80 | CYP3A4 (1.00) | CYP3A4GABRA1GABRB2TRPA1MAOA | |
| SCHEMBL4887211 | 0.80 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2KEAP1NFE2L2 | |
| SCHEMBL3814088 | 0.80 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2KEAP1NFE2L2 | |
| SCHEMBL2140650 | 0.79 | CYP3A4 (0.39) | CYP3A4GABRA1GABRB2KEAP1NFE2L2 | |
| SCHEMBL27946613 | 0.78 | CYP3A4 (0.95) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL7529724 | 0.78 | CYP3A4 (0.44) | CYP3A4 | |
| SCHEMBL28339723 | 0.77 | NAAA (0.39) | CYP3A4GABRA1GABRB2KEAP1NFE2L2 |
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 |