Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22793920 | 0.91 | SMN1; SMN2 (0.46) | HSD11B1ACHESMN1; SMN2HRH3EPHX1 | |
| SCHEMBL7738333 | 0.83 | ACHE (0.44) | ACHECHRM5ADRA2CSMN1; SMN2CYP1A2 | |
| SCHEMBL19525032 | 0.82 | HSD11B1 (0.40) | HSD11B1ACHECHRM5ADRA2COPRM1 | |
| SCHEMBL27267481 | 0.82 | NCF1 (0.48) | ACHESMN1; SMN2HRH3EPHX1EPHX2 | |
| SCHEMBL26480956 | 0.82 | SMN1; SMN2 (0.41) | HSD11B1SMN1; SMN2HRH3EPHX1KDM4E | |
| SCHEMBL8043238 | 0.81 | CXCR4 (0.49) | HSD11B1ACHECHRM5ADRA2CSMN1; SMN2 | |
| SCHEMBL26022702 | 0.81 | SMN1; SMN2 (0.34) | HSD11B1ACHECHRM5ADRA2CSMN1; SMN2 | |
| SCHEMBL23806855 | 0.80 | DRD2 (0.43) | SMN1; SMN2HRH3EPHX1EPHX2 | |
| SCHEMBL4036459 | 0.78 | GNAO1 (0.49) | SMN1; SMN2HRH3EPHX1EPHX2 | |
| SCHEMBL27267485 | 0.78 | SMN1; SMN2 (0.38) | HSD11B1SMN1; SMN2HRH3EPHX1EPHX2 |
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 |