Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTPRB | P23467 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4537020 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2NOS1FDPSESR2HSD17B10 | |
| Hydrochloric Acid SCHEMBL1439480 | 0.98 | SMN1; SMN2 (0.41) | SMN1; SMN2NOS1FDPSESR2HSD17B10 | |
| Hydrochloric Acid SCHEMBL1439479 | 0.98 | SMN1; SMN2 (0.41) | SMN1; SMN2NOS1FDPSESR2HSD17B10 | |
| Hydrochloric Acid SCHEMBL1439776 | 0.98 | SMN1; SMN2 (0.41) | SMN1; SMN2NOS1FDPSESR2HSD17B10 | |
| SCHEMBL8066149 | 0.81 | SMN1; SMN2 (0.42) | SMN1; SMN2NOS1FDPSESR2HSD17B10 | |
| SCHEMBL28211529 | 0.78 | — | — | |
| SCHEMBL24962537 | 0.75 | — | — | |
| SCHEMBL8035870 | 0.75 | — | — | |
| SCHEMBL2885153 | 0.75 | — | — | |
| SCHEMBL9299567 | 0.74 | NOS1 (0.36) | SMN1; SMN2NOS1FDPSESR2HSD17B10 |
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-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |