Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 5/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9023789 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL9006275 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL3398912 | 0.71 | CTSL (0.54) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL29083344 | 0.70 | ALDH1A1 (0.53) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL13684999 | 0.70 | ALDH1A1 (0.53) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL23532401 | 0.70 | ALDH1A1 (0.53) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL9006249 | 0.68 | ABCB1 (0.42) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL30752653 | 0.67 | ALDH1A1 (0.49) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL26503934 | 0.67 | ALDH1A1 (0.49) | ALDH1A1CPB1CTSLCTSBCTSK | |
| SCHEMBL9006197 | 0.67 | ALDH1A1 (0.49) | ALDH1A1CPB1CTSLCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-0367130-A2 | Pyrrolidine derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1990-05-09 | — | — | EP | disclosed |