Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 7/20 | 0.43 |
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA5A | P35218 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | DBH | P09172 | 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 | |
|---|---|---|---|---|
| SCHEMBL6754595 | 0.78 | HSP90AA1 (0.55) | HSP90AA1CA2CA9CA12NPSR1 | |
| SCHEMBL5921937 | 0.76 | HSP90AA1 (0.53) | HSP90AA1CA2CA9CA12NPSR1 | |
| SCHEMBL14331424 | 0.76 | HSP90AA1 (0.48) | HSP90AA1CA2CA1CA9CA5A | |
| SCHEMBL2542150 | 0.75 | CA2 (0.46) | HSP90AA1CA2CA1CA9CA5A | |
| SCHEMBL132005 | 0.75 | PKM (0.50) | HSP90AA1CA2CA1CA9CA5A | |
| SCHEMBL9717953 | 0.74 | APOBEC3G (0.52) | HSP90AA1CA9CA12ESR1ALDH1A1 | |
| SCHEMBL633874 | 0.73 | CA2 (0.45) | HSP90AA1CA2CA1CA9CA5A | |
| SCHEMBL11492117 | 0.73 | CA2 (0.45) | HSP90AA1CA2CA1CA9CA5A | |
| SCHEMBL11477000 | 0.73 | CA2 (0.41) | HSP90AA1CA2CA1CA9CA5A | |
| Hydrochloric Acid SCHEMBL6503305 | 0.71 | CA2 (0.43) | HSP90AA1CA2CA1CA9CA5A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105555273-A | Compositions to alleviate presystemic metabolism of opioids | UNIV VIRGINIA COMMONWEALTH | 2016-05-04 | — | — | CN | disclosed |