Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | PLG | P00747 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.50 |
| ▸ | KLK1 | P06870 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL759389 | 0.79 | CES2 (0.61) | CES2CES1UGT2B7F2PLG | |
| SCHEMBL6378731 | 0.79 | CES2 (0.50) | CES2CES1UGT2B7F2PLG | |
| SCHEMBL8213488 | 0.78 | CES2 (0.48) | CES2CES1UGT2B7F2PLG | |
| SCHEMBL2951738 | 0.76 | ALDH1A1 (0.62) | CES2CES1UGT2B7CYP1A2KDM4E | |
| SCHEMBL21350010 | 0.76 | CES2 (0.57) | CES2CES1UGT2B7F2PLG | |
| SCHEMBL8213357 | 0.76 | CES2 (0.47) | CES2CES1UGT2B7F2PLG | |
| Bromide SCHEMBL3957745 | 0.75 | ALDH1A1 (0.60) | CES2CES1UGT2B7CYP1A2KDM4E | |
| SCHEMBL397225 | 0.75 | CES2 (0.60) | CES2CES1F2PLGPLAU | |
| SCHEMBL2837486 | 0.74 | CES2 (0.65) | CES2CES1F2PLGPLAU | |
| SCHEMBL2599186 | 0.74 | CES2 (0.59) | CES2CES1UGT2B7F2PLG |
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-6057290-A | ADMINISTERING A CYSTEINE PROTEASE INHIBITOR TO A PATIENT FOR INHIBITING ANGIOGENESIS | SENJU PHARMACEUTICAL CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |