Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 3/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL761108 | 0.81 | PTPN2 (0.43) | NPC1ALDH1A1RAB9A | |
| SCHEMBL4464960 | 0.80 | SMN1; SMN2 (0.37) | CYP1A2SMN1; SMN2GAACA12CA1 | |
| SCHEMBL14916885 | 0.77 | CYP1A2 (0.49) | CYP1A2SMN1; SMN2GAACA12CA1 | |
| SCHEMBL3409415 | 0.77 | CYP1A2 (0.73) | CYP1A2SMN1; SMN2GAAOPRM1ALDH1A1 | |
| SCHEMBL755767 | 0.76 | SMN1; SMN2 (0.34) | CYP1A2SMN1; SMN2GAACA12CA1 | |
| SCHEMBL193707 | 0.76 | CYP1A2 (0.71) | CYP1A2SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL16876699 | 0.75 | SMN1; SMN2 (0.63) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL17149495 | 0.74 | CYP1A2 (0.44) | CYP1A2SMN1; SMN2GAACA12CA1 | |
| SCHEMBL21383795 | 0.73 | SMN1; SMN2 (0.41) | SMN1; SMN2CA12CA1CA2CA4 | |
| SCHEMBL7018431 | 0.71 | CTSS (0.36) | CTSBCTSSCTSK |
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-2073635-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008045250-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-04-17 | — | — | WO | disclosed |