Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30480695 | 1.00 | RPS6KA1 (0.41) | RPS6KA1KDM4AEPHX2NR1H4KCNA5 | |
| SCHEMBL15170275 | 0.87 | IDO1 (0.41) | RPS6KA1KDM4AEPHX2NR1H4KCNA5 | |
| SCHEMBL29467981 | 0.83 | RPS6KA1 (0.42) | RPS6KA1KDM4AKCNA5IDO1CA12 | |
| SCHEMBL19085509 | 0.83 | RPS6KA1 (0.47) | RPS6KA1KDM4AKCNA5CTSSCTSK | |
| SCHEMBL14920053 | 0.83 | RPS6KA1 (0.42) | RPS6KA1KDM4AKCNA5CTSSCTSK | |
| SCHEMBL14940927 | 0.82 | KCNA5 (0.42) | RPS6KA1KDM4AEPHX2NR1H4KCNA5 | |
| SCHEMBL19083121 | 0.82 | RPS6KA1 (0.41) | RPS6KA1KDM4AKCNA5CTSSCTSK | |
| SCHEMBL1671935 | 0.82 | RIPK1 (0.43) | EPHX2NR1H4CA1CA2BDKRB1 | |
| SCHEMBL12234545 | 0.80 | RPS6KA1 (0.43) | RPS6KA1KDM4AKCNA5IDO1CA12 | |
| SCHEMBL1495902 | 0.78 | EPHX2 (0.64) | KDM4AEPHX2NR1H4KCNA5CTSS |
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-107973809-A | MACROCYCLES AS FACTOR XIA INHIBITORS | 百时美施贵宝公司 | 2018-05-01 | — | — | CN | disclosed |