Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23645606 | 0.92 | EPHX1 (0.38) | CYP1A2 | |
| SCHEMBL19494977 | 0.69 | CYP1A2 (0.31) | CYP1A2DPP4 | |
| SCHEMBL5792635 | 0.69 | — | — | |
| SCHEMBL12493101 | 0.68 | — | — | |
| SCHEMBL27842330 | 0.67 | — | — | |
| SCHEMBL23645821 | 0.67 | SPHK1 (0.38) | TDP1 | |
| Water SCHEMBL10626597 | 0.66 | CYP1A2 (0.37) | CYP1A2TDP1LMNAHTT | |
| SCHEMBL24843782 | 0.65 | ARG1 (0.35) | CYP1A2TDP1 | |
| SCHEMBL1155362 | 0.65 | CYP1A2 (0.34) | CYP1A2TDP1LMNAMAPK1HTT | |
| SCHEMBL13804778 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2625190-B1 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | UNIV JUSTUS LIEBIG GIESSEN (DE) | 2021-07-14 | — | — | EP | disclosed |