Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL255356 | 0.94 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| Nitrogen SCHEMBL25320505 | 0.91 | CA1 (0.53) | CA1CA2CA12CA9CA14 | |
| SCHEMBL6132152 | 0.89 | CA1 (0.52) | CA1CA2CA12CA9CA14 | |
| SCHEMBL6132134 | 0.86 | CA1 (0.56) | CA1CA2CA12CA9CA14 | |
| Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 | 0.84 | CA1 (0.70) | CA1CA2CA12CA9CA14 | |
| SCHEMBL19387238 | 0.84 | CA1 (0.70) | CA1CA2CA12CA9CA14 | |
| SCHEMBL23380281 | 0.84 | EGFR (0.55) | CA1CA2CA12CA9CA14 | |
| Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 | 0.82 | CA1 (0.67) | CA1CA2CA12CA9CA14 | |
| SCHEMBL7401479 | 0.81 | CA1 (0.53) | CA1CA2CA12CA9CA14 | |
| Methyl Benzoate SCHEMBL28358400 | 0.81 | TSHR (0.70) | CA1CA2CA12CA9CA14 |
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 |