Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL25480233 | 0.91 | HRH3 (0.44) | HRH3KCNH2CYP2D6 | |
| SCHEMBL12890856 | 0.89 | HRH3 (0.43) | HRH3KCNH2CYP2D6 | |
| SCHEMBL24501875 | 0.83 | HRH3 (0.40) | HRH3KCNH2CYP2D6 | |
| SCHEMBL24671761 | 0.83 | NCF1 (0.46) | HRH3ACHEKCNH2 | |
| SCHEMBL23134084 | 0.81 | HRH3 (0.42) | HRH3ACHESIGMAR1KCNH2 | |
| SCHEMBL22565447 | 0.79 | HRH3 (0.38) | HRH3KCNH2 | |
| SCHEMBL13890374 | 0.79 | HRH3 (0.38) | HRH3CHRM5ADRA2CACHESIGMAR1 | |
| SCHEMBL4034418 | 0.79 | HRH3 (0.41) | HRH3SIGMAR1KCNH2 | |
| SCHEMBL13253252 | 0.77 | HRH3 (0.39) | HRH3KCNH2 | |
| SCHEMBL16376644 | 0.77 | HRH3 (0.39) | HRH3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7790744-B2 | Cyclic peptide antifungal agents and process for preparation thereof | ELI LILLY AND COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| US-6743777-B1 | TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |