Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2019716 | 0.81 | MEN1 (0.50) | CHRM2SIGMAR1GAAMAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL27690675 | 0.79 | MEN1 (0.48) | CHRM2SIGMAR1GAAMAPTCYP3A4 | |
| SCHEMBL13716233 | 0.79 | CHRM2 (0.41) | CHRM2CHRM1CHRM3SIGMAR1GAA | |
| SCHEMBL13716338 | 0.78 | GRIN2B (0.46) | CHRM2CHRM1CHRM3SIGMAR1GAA | |
| SCHEMBL283735 | 0.75 | SIGMAR1 (0.81) | SIGMAR1GAAMAPTATMTAAR1 | |
| SCHEMBL23023065 | 0.73 | MEN1 (0.45) | CHRM2SIGMAR1GAAMAPTCYP3A4 | |
| SCHEMBL8140699 | 0.73 | SIGMAR1 (0.77) | SIGMAR1GAAMAPTATMTAAR1 | |
| Hydrochloric Acid SCHEMBL5028920 | 0.73 | SIGMAR1 (0.77) | SIGMAR1GAAMAPTATMTAAR1 | |
| SCHEMBL13937400 | 0.73 | SIGMAR1 (0.77) | SIGMAR1GAAMAPTATMTAAR1 | |
| SCHEMBL1406143 | 0.71 | SIGMAR1 (0.64) | SIGMAR1GAAMAPTATMTAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7968571-B2 | 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease | Merck, Sharp & Dohme, Corp. (US) | 2011-06-28 | — | — | US | disclosed |