Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23347539 | 0.87 | TRPA1 (0.62) | TRPA1MAOAMAOBHPGDHTT | |
| SCHEMBL19628385 | 0.83 | TRPA1 (0.58) | TRPA1MAOAMAOBHPGDHTT | |
| SCHEMBL17892900 | 0.83 | TRPA1 (0.57) | TRPA1MAOAMAOBHPGDHTT | |
| SCHEMBL17892897 | 0.83 | TRPA1 (0.57) | TRPA1MAOAMAOBHPGDHTT | |
| SCHEMBL14520625 | 0.82 | TRPA1 (0.61) | TRPA1MAOAMAOBHPGDHTT | |
| SCHEMBL2172447 | 0.82 | TRPA1 (0.61) | TRPA1MAOAMAOBHPGDHTT | |
| SCHEMBL23347630 | 0.82 | TRPA1 (0.61) | TRPA1MAOAMAOBHPGDHTT | |
| SCHEMBL107844 | 0.80 | TAAR1 (0.59) | TAAR1MAPK1HSD17B10 | |
| SCHEMBL28128396 | 0.79 | TRPA1 (0.58) | TRPA1MAOAMAOBHPGDLOXL2 | |
| SCHEMBL28982569 | 0.78 | ALDH1A1 (0.45) | IDO1TAAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114108014-B | Method for synthesizing pinacol by selective electroreduction coupling of active hydrogen-mediated carbonyl compound in water | 天津大学 | 2023-08-11 | — | — | CN | claimed |
| CN-114108014-A | Method for synthesizing pinacol by selective electroreduction coupling of carbonyl compound mediated by active hydrogen in water | 天津大学 | 2022-03-01 | — | — | CN | claimed |
| CN-114108014-B | Method for synthesizing pinacol by selective electroreduction coupling of active hydrogen-mediated carbonyl compound in water | 天津大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-115304773-B | Organic polymer semiconductor material, preparation method and application thereof | 清华大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-115304773-A | Organic polymer semiconductor material and preparation method and application thereof | 清华大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-114108014-A | Method for synthesizing pinacol by selective electroreduction coupling of carbonyl compound mediated by active hydrogen in water | 天津大学 | 2022-03-01 | — | — | CN | disclosed |