Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | FASN | P49327 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL8014241 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL12820368 | 0.82 | AHR (0.50) | KMT2ATP53MAPTHPGDTSHR | |
| SCHEMBL23638836 | 0.81 | GRM2 (0.49) | FASNGRM2LMNATP53CYP1A2 | |
| SCHEMBL15298462 | 0.81 | FASN (0.45) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL25296236 | 0.78 | FASN (0.50) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL19393921 | 0.78 | CYP3A4 (0.45) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL24410942 | 0.78 | APP (0.51) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL12377041 | 0.78 | FASN (0.49) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL20898100 | 0.77 | NPC1 (0.49) | CYP3A4CYP2C9APPCYP2C19FASN | |
| SCHEMBL31067155 | 0.77 | NPC1 (0.49) | CYP3A4CYP2C9APPCYP2C19FASN |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010136431-A9 | SPIRO EPOXIDES AS INTERMEDIATES | SYNGENTA LIMITED (GB) | 2011-03-10 | — | — | WO | disclosed |