Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL217036 | 0.95 | — | — | |
| Tert-Butanol SCHEMBL17763313 | 0.95 | ALDH1A1 (0.60) | ALDH1A1LMNACYP2C19MAPK1TSHR | |
| Tert-Butanol SCHEMBL28273931 | 0.91 | ALDH1A1 (0.55) | ALDH1A1LMNACYP2C19MAPK1TSHR | |
| Tert-Butanol SCHEMBL1134592 | 0.91 | ALDH1A1 (0.55) | ALDH1A1LMNACYP2C19MAPK1TSHR | |
| Tert-Butanol SCHEMBL28030283 | 0.91 | ALDH1A1 (0.55) | ALDH1A1LMNACYP2C19MAPK1TSHR | |
| Tert-Butanol SCHEMBL894082 | 0.91 | ALDH1A1 (0.55) | ALDH1A1LMNACYP2C19MAPK1TSHR | |
| Tert-Butanol SCHEMBL3456548 | 0.91 | ALDH1A1 (0.55) | ALDH1A1LMNACYP2C19MAPK1TSHR | |
| Isopropyl Alcohol SCHEMBL29068742 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL22587395 | 0.82 | ALDH1A1 (0.55) | ALDH1A1LMNACYP2C19MAPK1TSHR | |
| Tert-Butanol SCHEMBL5867069 | 0.81 | TSHR (0.43) | ALDH1A1LMNACYP2C19MAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5712331-A | Curable epoxy compositions containing aziridine in supercritical fluid carbon dioxide | ROCKWELL INTERNATIONAL CORPORATION (US) | 1998-01-27 | — | — | US | claimed |