Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | LPL | P06858 | 12/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 12/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16177602 | 0.80 | LPL (0.49) | CA1CA2CA9LPLLIPG | |
| SCHEMBL31353179 | 0.80 | LPL (0.49) | CA1CA2CA9LPLLIPG | |
| SCHEMBL3320459 | 0.80 | LPL (0.49) | CA1CA2CA9LPLLIPG | |
| SCHEMBL28159865 | 0.79 | — | — | |
| SCHEMBL28686557 | 0.79 | CA1 (0.47) | CA1CA2CA9LPLLIPG | |
| SCHEMBL28623123 | 0.76 | CA1 (0.46) | CA1CA2CA9LPLLIPG | |
| SCHEMBL28623122 | 0.76 | CA1 (0.46) | CA1CA2CA9LPLLIPG | |
| SCHEMBL87138 | 0.76 | LIPG (0.55) | CA1CA2CA9LPLLIPG | |
| SCHEMBL14696745 | 0.74 | LIPG (0.53) | CA1CA2CA9LPLLIPG | |
| SCHEMBL17129595 | 0.74 | CA1 (0.47) | CA1CA2CA9LPLLIPG |
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-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |