Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193763 | 1.00 | CYP2D6 (0.53) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL2329047 | 1.00 | CYP2D6 (0.53) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL2692306 | 0.83 | CYP2D6 (0.50) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL31379007 | 0.82 | MEN1 (0.53) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL3383313 | 0.80 | HDAC1 (0.55) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL894256 | 0.79 | CYP2D6 (0.57) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL3266869 | 0.79 | UGT2B7 (0.61) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL14018472 | 0.78 | CYP2D6 (0.49) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL2894556 | 0.77 | CYP2D6 (0.59) | CYP2D6MEN1KMT2AAOC3CYP1A2 | |
| SCHEMBL6490271 | 0.77 | CYP2D6 (0.59) | CYP2D6MEN1KMT2AAOC3CYP1A2 |
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-2011099947-A1 | A NEW CLASS OF HIGHLY APOPTOTIC ANTI-CANCER AGENTS | CAGIR ALI (TR) | 2011-08-18 | — | — | WO | disclosed |