Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5530718 | 0.89 | DPP7 (0.55) | DPP7CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16026613 | 0.78 | DPP7 (0.81) | DPP7GAAFAAHALDH1A1PKM | |
| SCHEMBL6866910 | 0.76 | CYP3A4 (0.57) | DPP7CYP2C19CYP3A4CYP2D6CYP2C9 | |
| Lithium Ion SCHEMBL5530714 | 0.74 | CYP3A4 (0.54) | DPP7CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9587878 | 0.73 | CYP3A4 (0.66) | DPP7CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5525439 | 0.73 | USP30 (0.50) | DPP7CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7342680 | 0.72 | CYP3A4 (0.61) | CYP2C19CYP3A4CYP2D6CYP2C9FAAH | |
| SCHEMBL7342675 | 0.72 | CYP3A4 (0.61) | CYP2C19CYP3A4CYP2D6CYP2C9FAAH | |
| SCHEMBL5525435 | 0.72 | CTSS (0.62) | DPP7CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1821860 | 0.72 | FAAH (0.70) | DPP7CYP2C19CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178958-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000055125-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |