Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL21436174 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRTTRLMNA | |
| Tetrahydrofuran SCHEMBL6854578 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL28163175 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TSHRTTRLMNA | |
| Tetrahydrofuran SCHEMBL22283024 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TSHRTTRLMNA | |
| Cyclohexane SCHEMBL7993995 | 0.90 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRLMNA | |
| Pentane SCHEMBL6826840 | 0.90 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRLMNA | |
| Pentane SCHEMBL28173738 | 0.90 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRLMNA | |
| Hexane SCHEMBL28093142 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNA | |
| Hexane SCHEMBL11154641 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNA | |
| Tetrahydrofuran SCHEMBL1626579 | 0.86 | ALDH1A1 (0.57) | ALDH1A1TSHRTTRLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018089786-A1 | ATG7 INHIBITORS AND THE USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |