Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12436835 | 0.84 | EPHX2 (0.42) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL890157 | 0.84 | EPHX2 (0.42) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL890177 | 0.84 | EPHX2 (0.42) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL13609466 | 0.79 | EPHX1 (0.41) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL5473239 | 0.78 | BTK (0.55) | EPHX2GAAEPHX1BTKKMT2A | |
| SCHEMBL22722028 | 0.78 | ALDH1A1 (0.44) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL573239 | 0.78 | BTK (0.55) | EPHX2GAAEPHX1BTKKMT2A | |
| SCHEMBL22722002 | 0.78 | HSD11B1 (0.41) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL12587120 | 0.78 | EPHX2 (0.39) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL12436759 | 0.78 | ALDH1A1 (0.44) | EPHX2TSHRALDH1A1GAAEPHX1 |
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-2336105-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-02-12 | — | — | EP | disclosed |