Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL29088065 | 0.84 | — | — | |
| Cyclohexane SCHEMBL5712062 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHR | |
| Cyclohexane SCHEMBL12476090 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHR | |
| Cyclohexane SCHEMBL12475625 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHR | |
| Cyclohexane SCHEMBL3212439 | 0.84 | TSHR (0.57) | ALDH1A1LMNACYP2E1TSHR | |
| Cyclohexane SCHEMBL185456 | 0.84 | — | — | |
| Carbon Tetrachloride SCHEMBL1405331 | 0.84 | — | — | |
| Cyclohexane SCHEMBL12475806 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHR | |
| Cyclohexane SCHEMBL21879029 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHR | |
| Cyclohexane SCHEMBL11489570 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHR |
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-4002682-A | CHEMICAL INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JA) | 1977-01-11 | — | — | US | disclosed |
| US-3952044-A | INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JA) | 1976-04-20 | — | — | US | disclosed |