Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953936 | 0.72 | EPHX1 (0.56) | EPHX1TP53KDM4EGMNNLMNA | |
| SCHEMBL19799387 | 0.69 | — | — | |
| SCHEMBL3469913 | 0.67 | EPHX1 (0.42) | EPHX1TP53KDM4EGMNNLMNA | |
| SCHEMBL3469918 | 0.65 | ALDH1A1 (0.38) | EPHX1TP53LMNAMAPTSMN1; SMN2 | |
| SCHEMBL8054826 | 0.64 | SPHK1 (0.41) | — | |
| SCHEMBL634334 | 0.63 | SHBG (0.56) | EPHX1TP53KDM4EGMNNLMNA | |
| SCHEMBL8153354 | 0.63 | EPHX1 (0.39) | EPHX1TP53KDM4EGMNNLMNA | |
| SCHEMBL21249173 | 0.63 | CYP3A4 (0.31) | — | |
| SCHEMBL23921220 | 0.63 | EPHX1 (0.39) | EPHX1TP53KDM4EGMNNLMNA | |
| SCHEMBL20938745 | 0.63 | SIGMAR1 (0.50) | KDM4ELMNAMAPTSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009078932-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-06-25 | — | — | WO | disclosed |