Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GRM6 | O15303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL222005 | 0.78 | CYP2D6 (0.49) | CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12971547 | 0.73 | CYP2D6 (0.50) | CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27628652 | 0.71 | CYP2D6 (0.32) | CYP2D6CYP3A4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL14034000 | 0.70 | PARP1 (0.39) | CYP2C19ALDH1A1SIGMAR1PDK1PDK2 | |
| SCHEMBL6272775 | 0.70 | — | — | |
| SCHEMBL6973071 | 0.66 | DRD2 (0.38) | CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL14034171 | 0.66 | NPY1R (0.39) | ALDH1A1SIGMAR1TSHROPRL1HTT | |
| SCHEMBL6963483 | 0.66 | — | — | |
| SCHEMBL5808971 | 0.65 | OPRM1 (0.39) | SIGMAR1 | |
| SCHEMBL24926340 | 0.62 | ACHE (0.45) | CYP2D6CYP3A4CYP2C19ALDH1A1 |
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-2009158646-A1 | THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE | ELIXIR PHARMACEUTICALS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |