Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | PPID | Q08752 | 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 | |
|---|---|---|---|---|
| SCHEMBL13406333 | 0.86 | GAA (0.42) | EPHX2KDM4EGAAPOLBALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27764923 | 0.81 | KCNH2 (0.49) | TDP1GNAI3GNAO1GNAI1SSTR1 | |
| Tert-Butyl Formate SCHEMBL27738524 | 0.81 | GAA (0.36) | EPHX2KDM4EGAATDP1POLB | |
| Tert-Butyl Formate SCHEMBL27790899 | 0.78 | GNAI3 (0.36) | EPHX2KDM4ETDP1POLBALDH1A1 | |
| SCHEMBL13221611 | 0.78 | KCNH2 (0.53) | EPHX2KDM4EGAAPOLBGNAI3 | |
| SCHEMBL17874925 | 0.78 | KCNH2 (0.53) | EPHX2KDM4EGAAPOLBGNAI3 | |
| Ethyl Isonipecotate SCHEMBL27840521 | 0.77 | PKM (0.41) | KDM4EGAATDP1ALDH1A1 | |
| SCHEMBL5342209 | 0.76 | EPHX1 (0.40) | POLBGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL493716 | 0.75 | GAA (0.50) | EPHX2KDM4EGAATDP1POLB | |
| Tert-Butyl Formate SCHEMBL27867191 | 0.75 | GNAI3 (0.44) | KDM4ETDP1ALDH1A1GNAI3GNAO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102405211-B | Proline derivatives as cathepsin inhibitors | HOFFMANN LA ROCHE | 2015-01-21 | — | — | CN | disclosed |
| CN-102405211-A | Proline derivatives as cathepsin inhibitors | HOFFMANN LA ROCHE | 2012-04-04 | — | — | CN | disclosed |