Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | TYMP | P19971 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL13106577 | 1.00 | EPHX2 (0.38) | EPHX2CYP2D6CYP3A4CYP2C19HTT | |
| SCHEMBL14254657 | 1.00 | EPHX2 (0.38) | EPHX2CYP2D6CYP3A4CYP2C19HTT | |
| SCHEMBL14276122 | 0.83 | NCF1 (0.36) | — | |
| SCHEMBL18779681 | 0.79 | — | — | |
| SCHEMBL13888947 | 0.74 | DPP4 (0.31) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL13927965 | 0.74 | CA12 (0.38) | SMN1; SMN2POLBALDH1A1 | |
| SCHEMBL220279 | 0.73 | — | — | |
| SCHEMBL1183640 | 0.73 | — | — | |
| SCHEMBL1184718 | 0.73 | — | — | |
| SCHEMBL13117961 | 0.72 | DPP4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7517892-B2 | Ligands for monoamine receptors and transporters, and methods of use thereof | SEPRACOR INC. (US) | 2009-04-14 | — | — | US | disclosed |