Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL1534171 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TTRTSHR | |
| Methyl Alcohol SCHEMBL9304289 | 1.00 | — | — | |
| Tetrahydrofuran SCHEMBL49157 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL18167417 | 0.96 | ALDH1A1 (0.73) | ALDH1A1TTRTSHR | |
| Tetrahydrofuran SCHEMBL5244965 | 0.96 | ALDH1A1 (0.73) | ALDH1A1TTRTSHR | |
| Tetrahydrofuran SCHEMBL3181441 | 0.96 | ALDH1A1 (0.73) | ALDH1A1TTRTSHR | |
| Tetrahydrofuran SCHEMBL1708038 | 0.96 | ALDH1A1 (0.73) | ALDH1A1TTRTSHR | |
| Tetrahydrofuran SCHEMBL1615823 | 0.92 | — | — | |
| Dioxane SCHEMBL28216951 | 0.92 | ALDH1A1 (0.67) | ALDH1A1TTRTSHR | |
| Tetrahydrofuran SCHEMBL11075183 | 0.92 | — | — |
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-4287302-A | Microbiological modification of antibiotic A23187 esters | ELI LILLY AND COMPANY (US) | 1981-09-01 | — | — | US | disclosed |
| US-4247703-A | METHYL ESTER OF THE 16-HYDROXY-, 16-HYDROXY-N-DEMETHYL-, AND N-DEMETHYL- DERIVATIVES | ELI LILLY AND COMPANY (US) | 1981-01-27 | — | — | US | disclosed |