Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21148138 | 0.91 | HRH3 (0.47) | NPC1HRH3GBA1 | |
| SCHEMBL21546331 | 0.91 | HRH3 (0.47) | NPC1HRH3GBA1 | |
| SCHEMBL21147732 | 0.91 | HRH3 (0.47) | NPC1HRH3GBA1 | |
| SCHEMBL17263959 | 0.89 | HRH3 (0.48) | NPC1HRH3GBA1 | |
| SCHEMBL96768 | 0.85 | HRH3 (0.44) | KDM1AHRH3ALDH1A1GBA1 | |
| SCHEMBL13394402 | 0.85 | HRH3 (0.44) | KDM1AHRH3ALDH1A1GBA1 | |
| SCHEMBL96616 | 0.80 | HRH3 (0.40) | KDM1AGNAI3GNAO1GNAI1HSD11B1 | |
| SCHEMBL13568869 | 0.80 | HRH3 (0.40) | KDM1AGNAI3GNAO1GNAI1HSD11B1 | |
| SCHEMBL13394401 | 0.79 | GBA1 (0.44) | NPC1KDM1AHSD11B1HRH3GBA1 | |
| SCHEMBL96767 | 0.79 | GBA1 (0.44) | NPC1KDM1AHSD11B1HRH3GBA1 |
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 |