Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24849087 | 0.86 | TRPA1 (0.48) | TRPA1HKDC1ESR1ESR2LMNA | |
| SCHEMBL29001551 | 0.83 | TRPA1 (0.39) | TRPA1LMNATSHRALDH1A1HPGD | |
| SCHEMBL11206738 | 0.82 | HKDC1 (0.53) | TRPA1HKDC1ESR1LMNATAAR1 | |
| SCHEMBL30306987 | 0.80 | OPRM1 (0.39) | TRPA1ALDH1A1HPGDOPRM1 | |
| SCHEMBL1344286 | 0.77 | ESR1 (0.68) | TRPA1HKDC1ESR1ESR2LMNA | |
| SCHEMBL29054038 | 0.76 | ALDH1A1 (0.40) | TRPA1LMNATSHRALDH1A1HPGD | |
| SCHEMBL29054028 | 0.76 | TRPA1 (0.45) | TRPA1LMNATSHRALDH1A1HPGD | |
| SCHEMBL4071581 | 0.75 | HKDC1 (0.65) | TRPA1HKDC1ESR1LMNATAAR1 | |
| SCHEMBL30307009 | 0.75 | TRPA1 (0.43) | TRPA1ESR1ESR2LMNATSHR | |
| SCHEMBL27704927 | 0.75 | TRPA1 (0.48) | TRPA1ESR1ESR2LMNATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115710199-B | Photooxidation reduction catalytic process | 深圳湾实验室坪山生物医药研发转化中心 | 2024-06-28 | — | — | CN | disclosed |
| CN-115710199-A | Photo-oxidation-reduction catalysis method | 深圳湾实验室坪山生物医药研发转化中心 | 2023-02-24 | — | — | CN | disclosed |
| CN-113387837-B | Photo-oxidation-reduction catalysis method | 深圳湾实验室坪山生物医药研发转化中心 | 2023-02-21 | — | — | CN | disclosed |
| CN-113387837-A | Photo-oxidation-reduction catalysis method | 深圳湾实验室坪山生物医药研发转化中心 | 2021-09-14 | — | — | CN | disclosed |