Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8604945 | 0.82 | CYP2B6 (0.33) | CYP2B6NPC1 | |
| SCHEMBL23336586 | 0.80 | CYP2B6 (0.38) | CYP2B6NPC1KMT2A | |
| SCHEMBL22871678 | 0.80 | CYP2B6 (0.38) | CYP2B6NPC1KMT2A | |
| SCHEMBL20182443 | 0.78 | CYP2B6 (0.37) | CYP2B6NPC1KMT2A | |
| SCHEMBL11587102 | 0.78 | CYP2B6 (0.37) | CYP2B6NPC1KMT2A | |
| SCHEMBL9925976 | 0.78 | CYP2B6 (0.37) | CYP2B6NPC1KMT2A | |
| SCHEMBL24663779 | 0.77 | CYP2B6 (0.34) | CYP2B6NPC1 | |
| SCHEMBL11989197 | 0.76 | ALDH1A1 (0.43) | CYP2B6NPC1CYP3A4 | |
| SCHEMBL19466064 | 0.76 | CYP2B6 (0.35) | CYP2B6NPC1 | |
| SCHEMBL25131531 | 0.76 | CYP2B6 (0.35) | CYP2B6NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0951474-A1 | NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 1999-10-27 | — | — | EP | disclosed |
| WO-1998028330-A1 | NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1998-07-02 | — | — | WO | disclosed |