Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 14/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4669846 | 0.88 | EPHX1 (0.44) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL10871871 | 0.86 | NPC1 (0.39) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL5699570 | 0.82 | GAA (0.49) | ALDH1A1POLBCYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL6247949 | 0.81 | EPHX1 (0.44) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL3400195 | 0.80 | EPHX1 (0.43) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL2486965 | 0.79 | EPHX1 (0.46) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL11525795 | 0.79 | EPHX1 (0.48) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL290981 | 0.78 | TDP1 (0.50) | ALDH1A1POLBCYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL2487393 | 0.77 | EPHX1 (0.47) | EPHX1ACHEALDH1A1POLBATM | |
| Water SCHEMBL2946569 | 0.77 | TDP1 (0.49) | ALDH1A1POLBCYP1A2CYP2C19SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682524-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005040142-A9 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMA INC (US) | 2005-06-09 | — | — | WO | disclosed |
| WO-2005040142-A1 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-06 | — | — | WO | disclosed |