Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15585474 | 0.85 | EPHX1 (0.49) | EPHX1GAANPSR1ALDH1A1KMT2A | |
| SCHEMBL19676019 | 0.83 | BTK (0.42) | BTKEPHX1GAANPSR1ALDH1A1 | |
| SCHEMBL19864847 | 0.79 | CA12 (0.41) | EPHX1CA12CA9NPSR1ALDH1A1 | |
| SCHEMBL25599879 | 0.79 | CA12 (0.41) | EPHX1CA12CA9NPSR1ALDH1A1 | |
| SCHEMBL16070789 | 0.76 | BTK (0.69) | BTKEPHX1GAAKMT2AL3MBTL1 | |
| SCHEMBL19676155 | 0.76 | BTK (0.69) | BTKEPHX1GAAKMT2AL3MBTL1 | |
| SCHEMBL22688618 | 0.76 | BTK (0.69) | BTKEPHX1GAAKMT2AL3MBTL1 | |
| SCHEMBL12140717 | 0.76 | BTK (0.69) | BTKEPHX1GAAKMT2AL3MBTL1 | |
| SCHEMBL9122830 | 0.73 | HSD11B1 (0.41) | BTKEPHX1CA12CA9NPSR1 | |
| SCHEMBL7729472 | 0.72 | AGTR2 (0.36) | BTKSMN1; SMN2MAOA |
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-2840080-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2017-12-06 | — | — | EP | disclosed |