Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 9/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GGT1 | P19440 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15175 | 0.87 | CYP3A4 (0.55) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| Ethylene SCHEMBL29113890 | 0.85 | CYP3A4 (0.53) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL2778 | 0.84 | TSHR (0.52) | CYP3A4ITGB1ITGA5TSHRALDH1A1 | |
| SCHEMBL30084385 | 0.84 | TSHR (0.52) | CYP3A4ITGB1ITGA5TSHRALDH1A1 | |
| SCHEMBL5535925 | 0.83 | ALDH1A1 (0.47) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL1896602 | 0.82 | TSHR (0.50) | CYP3A4ITGB1ITGA5TSHRALDH1A1 | |
| Acetone SCHEMBL29281281 | 0.82 | TSHR (0.50) | CYP3A4ITGB1ITGA5TSHRALDH1A1 | |
| SCHEMBL6383298 | 0.82 | TSHR (0.50) | CYP3A4ITGB1ITGA5TSHRALDH1A1 | |
| Acetic Acid SCHEMBL8442986 | 0.82 | ALDH1A1 (0.50) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL11794205 | 0.81 | TSHR (0.55) | CYP3A4TSHRALDH1A1HSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-106310276-A | Pharmaceutical composition containing sugar and lipid reducing medicine and aspirin and folic acid | 深圳奥萨制药有限公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-106310277-A | Pharmaceutical composition containing sugar reducing medicine, aspirin and folic acid | 深圳奥萨制药有限公司 | 2017-01-11 | — | — | CN | disclosed |