Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3855153 | 0.95 | CA12 (0.42) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL3860426 | 0.90 | CA12 (0.43) | CA12CA9KMT2AMEN1MAPT | |
| SCHEMBL3854290 | 0.90 | CYP2C19 (0.51) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL5184174 | 0.85 | MAPK1 (0.43) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL3854418 | 0.84 | CA12 (0.51) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL3854890 | 0.84 | CA12 (0.51) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL5154034 | 0.82 | CYP2C19 (0.44) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL5156302 | 0.82 | CYP2C9 (0.44) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL5184177 | 0.82 | CYP2C9 (0.38) | CYP2C9CYP2C19CA12CA9CA1 | |
| SCHEMBL5153384 | 0.81 | CYP2C9 (0.43) | CYP2C9CYP2C19CA12CA9CA1 |
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 |