Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10718340 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP2C19EPHX2RECQLEPHX1 | |
| SCHEMBL10717331 | 0.81 | CTSD (0.42) | ALDH1A1CYP2C19EPHX2 | |
| SCHEMBL10717483 | 0.79 | SMN1; SMN2 (0.40) | ALDH1A1CYP2C19 | |
| SCHEMBL7276223 | 0.76 | REN (0.42) | — | |
| SCHEMBL7276220 | 0.76 | REN (0.42) | — | |
| SCHEMBL2863165 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP2C19EPHX2EPHX1 | |
| SCHEMBL7274963 | 0.74 | YAP1 (0.38) | EPHX2 | |
| SCHEMBL10716142 | 0.71 | EPHX2 (0.41) | ALDH1A1EPHX2RECQLEPHX1 | |
| SCHEMBL7274687 | 0.69 | REN (0.52) | — | |
| SCHEMBL26708719 | 0.67 | MAPT (0.60) | ALDH1A1RECQL |
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-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | claimed |
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | disclosed |