Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 6/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL9619130 | 0.81 | CA12 (0.39) | CA12CA1CA2GLACA3 | |
| SCHEMBL472871 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11048878 | 0.76 | — | — | |
| Carbamic Acid SCHEMBL25424778 | 0.74 | ACHE (0.30) | — | |
| SCHEMBL3258975 | 0.73 | — | — | |
| SCHEMBL1926113 | 0.70 | — | — | |
| Phenol SCHEMBL10574385 | 0.69 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL21247773 | 0.69 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL49522 | 0.69 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL467400 | 0.69 | CA12 (0.61) | CA12CA1CA2GLACA3 |
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-111650380-A | Application of 5-oxo-ETE and oxoeicosane receptor thereof in acute myocardial infarction | 中国药科大学 | 2020-09-11 | — | — | CN | disclosed |
| CN-111647640-A | Method for rapidly and accurately realizing classification of cardiac function and course of chronic heart failure | 中国药科大学 | 2020-09-11 | — | — | CN | disclosed |