Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PTPRA | P18433 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286796 | 0.75 | USP2 (0.49) | USP2CYP2D6HRH3CYP2C9SCN9A | |
| SCHEMBL1286820 | 0.73 | HRH3 (0.59) | USP2CYP2D6HRH3CYP2C9SCN9A | |
| SCHEMBL22657483 | 0.70 | USP2 (0.47) | USP2CYP2D6CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL29447902 | 0.70 | USP2 (0.50) | USP2CYP2D6CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL1443382 | 0.69 | MBTD1 (0.52) | USP2ALDH1A1CYP3A4MAPK1LMNA | |
| SCHEMBL28490686 | 0.69 | SMN1; SMN2 (0.55) | CYP2D6CYP2C9ALDH1A1CYP2C19MEN1 | |
| SCHEMBL23068913 | 0.68 | NAMPT (0.38) | — | |
| SCHEMBL1709241 | 0.68 | SCN9A (0.54) | USP2CYP2D6HRH3CYP2C9SCN9A | |
| SCHEMBL1709269 | 0.68 | USP2 (0.74) | USP2CYP2D6CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL4052281 | 0.66 | AKR1C3 (0.52) | USP2CYP2C9ALDH1A1CYP3A4CYP2C19 |
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-2012047703-A2 | CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS | SCHERING CORPORATION (US) | 2012-04-12 | — | — | WO | disclosed |