Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3853839 | 0.95 | CA12 (0.43) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL3854290 | 0.91 | CYP2C19 (0.51) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL3857881 | 0.90 | PDK2 (0.39) | CA12CA2CA9PDK2RAB9A | |
| SCHEMBL5153384 | 0.87 | CYP2C9 (0.43) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL3854890 | 0.85 | CA12 (0.51) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL3854418 | 0.85 | CA12 (0.51) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL5159663 | 0.84 | CYP2C9 (0.40) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL5158703 | 0.83 | CYP2C9 (0.38) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL3858438 | 0.83 | PRKCA (0.45) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL5156302 | 0.83 | CYP2C9 (0.44) | CYP2C19CYP2C9CA12CA1CA2 |
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-1740575-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005108358-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |