Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL98817 | 0.94 | — | — | |
| SCHEMBL27415706 | 0.87 | TSHR (0.47) | TDP1TSHRTRPA1 | |
| SCHEMBL2381959 | 0.87 | TSHR (0.47) | TDP1TSHRTRPA1 | |
| SCHEMBL5907063 | 0.84 | TSHR (0.47) | TDP1TSHRALDH1A1LMNA | |
| SCHEMBL45749 | 0.84 | — | — | |
| SCHEMBL1328939 | 0.84 | — | — | |
| Acetic Acid SCHEMBL28340471 | 0.81 | TDP1 (0.43) | TDP1TSHRTRPA1ALDH1A1LMNA | |
| Ammonia Solution, Strong SCHEMBL8993372 | 0.81 | TSHR (0.44) | TDP1TSHRALDH1A1LMNA | |
| SCHEMBL15093596 | 0.80 | TDP1 (0.47) | TDP1TSHRALDH1A1LMNA | |
| SCHEMBL18133250 | 0.80 | TDP1 (0.47) | TDP1TSHRTRPA1ALDH1A1LMNA |
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-5110954-A | Catalytic conversion to lactone | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| WO-1992000973-A1 | DEHYDROGENATION OF DIOLS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-01-23 | — | — | WO | disclosed |