Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHI3L1 | P36222 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CHIT1 | Q13231 | 4/20 | 0.43 |
| ▸ | CHIA | Q9BZP6 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL21732238 | 0.85 | ALDH1A1 (0.38) | KCNH2CHIT1CHIAALDH1A1KDM4E | |
| SCHEMBL11369857 | 0.79 | CHRNB2 (0.54) | CHI3L1KCNH2HRH3CHRNB2CHRNA5 | |
| SCHEMBL11371632 | 0.76 | CHI3L1 (0.43) | CHI3L1KCNH2CHIT1CHIAALDH1A1 | |
| SCHEMBL11372466 | 0.76 | CHI3L1 (0.43) | CHI3L1KCNH2CHIT1CHIAALDH1A1 | |
| SCHEMBL19786306 | 0.75 | LTA4H (0.38) | CHI3L1HRH3 | |
| SCHEMBL4278447 | 0.75 | CHRNB2 (0.49) | KCNH2CHIT1CHIAALDH1A1KDM4E | |
| SCHEMBL11486228 | 0.73 | CHRNB2 (0.48) | KCNH2CHIT1CHIAALDH1A1KDM4E | |
| SCHEMBL11486276 | 0.73 | ALDH1A1 (0.51) | KCNH2CHIT1CHIAALDH1A1KDM4E | |
| SCHEMBL11370283 | 0.73 | CHI3L1 (0.42) | CHI3L1KCNH2CHIT1CHIAALDH1A1 | |
| SCHEMBL11469767 | 0.72 | CHIT1 (0.60) | CHI3L1KCNH2CHIT1CHIAALDH1A1 |
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-2006002004-A1 | PYRROLIDIN-3-YL COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-01-05 | — | — | WO | disclosed |