Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3988278 | 0.98 | EPHX1 (0.57) | EPHX1TDP1BTKGAAMEN1 | |
| SCHEMBL745045 | 0.95 | EPHX1 (0.54) | EPHX1TDP1BTKGAAMEN1 | |
| SCHEMBL923552 | 0.85 | EPHX1 (0.54) | EPHX1TDP1BTKGAAMEN1 | |
| SCHEMBL23366831 | 0.83 | EPHX1 (0.51) | EPHX1TDP1BTKGAAMEN1 | |
| SCHEMBL15778148 | 0.82 | TDP1 (0.49) | EPHX1TDP1BTKGAAMEN1 | |
| SCHEMBL3659843 | 0.80 | EPHX1 (0.56) | EPHX1TDP1BTKGAAMEN1 | |
| SCHEMBL22859599 | 0.80 | EPHX1 (0.56) | EPHX1TDP1GAAMEN1KMT2A | |
| SCHEMBL29618895 | 0.80 | BTK (0.50) | EPHX1TDP1BTKGAAMEN1 | |
| SCHEMBL6799750 | 0.80 | EPHX1 (0.63) | EPHX1TDP1GAAMEN1KMT2A | |
| SCHEMBL22039566 | 0.78 | HDAC4 (0.44) | EPHX1BTKGAAMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2195314-A1 | DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009029257-A1 | DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.] OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-03-05 | — | — | WO | disclosed |