Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL9441833 | 0.88 | TSHR (0.45) | ACHETSHRMAPTHTTALDH1A1 | |
| SCHEMBL27534154 | 0.87 | TSHR (0.36) | ACHETSHRMAPTHTTALDH1A1 | |
| SCHEMBL7902242 | 0.85 | TP53 (0.33) | — | |
| SCHEMBL9493006 | 0.84 | TSHR (0.41) | ACHETSHRMAPTHTTALDH1A1 | |
| SCHEMBL28049977 | 0.84 | P2RX7 (0.37) | ACHETSHRHTTALDH1A1 | |
| SCHEMBL28050019 | 0.84 | P2RX7 (0.37) | ACHETSHRHTTALDH1A1 | |
| SCHEMBL28226718 | 0.83 | TRPA1 (0.37) | TSHRMAPTALDH1A1CA1CA2 | |
| SCHEMBL8999868 | 0.82 | ACHE (0.39) | ACHETSHRMAPTHTTALDH1A1 | |
| SCHEMBL7563201 | 0.81 | TSHR (0.43) | ACHETSHRMAPTHTTALDH1A1 | |
| Butane SCHEMBL29069349 | 0.76 | TSHR (0.43) | ACHETSHRMAPTHTTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492532-B2 | Method for producing carbonyl compound by dehydrogenating alcohol | MITSUBISHI CHEMICAL CORPORATION (JP) | 2002-12-10 | — | — | US | disclosed |
| US-20020002289-A1 | Method for producing carbonyl compound by dehydrogenating alcohol | MITSUBISHI CHEMICAL CORPORATION (JP) | 2002-01-03 | — | — | US | disclosed |
| EP-1160245-A1 | PROCESS FOR PRODUCING CARBONYL COMPOUNDS BY DEHYDROGENATION OF ALCOHOLS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-12-05 | — | — | EP | disclosed |