Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 7/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 6/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 6/20 | 0.37 |
| ▸ | F10 | P00742 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 7/20 | 0.36 |
| ▸ | CA7 | P43166 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 6/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 5/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28022942 | 0.93 | CA2 (0.40) | FABP4CA2CA7CA1CA9 | |
| SCHEMBL8770178 | 0.80 | CA2 (0.41) | FABP4CA2CA7CA1CA9 | |
| SCHEMBL28022924 | 0.76 | KIF11 (0.42) | FABP4PTGS2 | |
| Trifluoroacetic Acid SCHEMBL15918323 | 0.75 | KMT2A (0.49) | CA2CA7CA1CA9CA12 | |
| SCHEMBL6917671 | 0.74 | FABP4 (0.44) | FABP4CA2CA7CA1CA9 | |
| SCHEMBL6111777 | 0.73 | CA2 (0.39) | FABP4CA2CA7CA1CA9 | |
| SCHEMBL26669292 | 0.73 | FABP4 (0.36) | FABP4CA2CA7CA1CA9 | |
| SCHEMBL7508828 | 0.72 | CA2 (0.46) | CA2CA7CA1CA9CA12 | |
| Trifluoroacetic Acid SCHEMBL15924604 | 0.71 | PRSS1 (0.55) | PRSS1PRSS2PRSS3F10F2 | |
| SCHEMBL28022377 | 0.71 | CA2 (0.40) | CA2CA1CA9CA12CA5A |
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-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |