Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29163236 | 0.87 | HMGB1 (0.45) | HMGB1TSHRFOLH1CDK2CYP3A4 | |
| SCHEMBL25231628 | 0.87 | HMGB1 (0.47) | HMGB1TSHRFOLH1CYP3A4CYP1A2 | |
| SCHEMBL27900413 | 0.84 | TSHR (0.45) | HMGB1TSHRFOLH1CDK2CYP3A4 | |
| SCHEMBL3387371 | 0.84 | TSHR (0.49) | HMGB1TSHRFOLH1CYP3A4CYP1A2 | |
| SCHEMBL27574811 | 0.84 | TSHR (0.45) | HMGB1TSHRFOLH1CDK2CYP3A4 | |
| SCHEMBL28471763 | 0.83 | ALDH1A1 (0.48) | TSHRFOLH1CDK2CYP3A4CYP1A2 | |
| SCHEMBL27957680 | 0.83 | TSHR (0.44) | HMGB1TSHRFOLH1CDK2CYP3A4 | |
| SCHEMBL1523175 | 0.81 | TSHR (0.53) | HMGB1TSHRFOLH1ALDH1A1ALOX15 | |
| SCHEMBL8708824 | 0.81 | TSHR (0.49) | HMGB1TSHRFOLH1CDK2ALDH1A1 | |
| SCHEMBL8708820 | 0.81 | TSHR (0.49) | HMGB1TSHRFOLH1CDK2ALDH1A1 |
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-116730871-A | Synthesis method of candesartan intermediate | 湖北郡泰医药化工有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-103922948-A | Preparation method of 2-amino-3-nitrobenzoic acid | QINGDAO XUEJIE CHEMICALS CO LTD | 2014-07-16 | — | — | CN | disclosed |
| CN-102827090-A | Benzotriazol compound and application thereof | UNIV EAST CHINA SCIENCE & TECH | 2012-12-19 | — | — | CN | disclosed |
| CN-1633434-A | Imidazo [1, 2-a ] pyridine derivatives | DAIICHI SEIYAKU CO (JP) | 2005-06-29 | — | — | CN | disclosed |