Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1061986 | 1.00 | CA1 (0.52) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL4760751 | 0.82 | CTSK (0.50) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL4953395 | 0.82 | CTSK (0.52) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL3619298 | 0.80 | CA1 (0.60) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL17323937 | 0.79 | EPHX2 (0.57) | CA1CA2EPHX1CTSKHSD11B1 | |
| SCHEMBL12661411 | 0.78 | CTSK (0.51) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL907562 | 0.78 | CTSK (0.51) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL13459453 | 0.78 | CTSK (0.51) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL14417805 | 0.78 | CTSK (0.51) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL14417798 | 0.77 | CTSK (0.48) | CA1CA2EPHX1CTSKBTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247588-B1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-04-13 | — | — | EP | disclosed |