Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL11954 | 0.83 | EPHX2 (0.59) | EPHX2NR1H4CA1CA2HDAC3 | |
| SCHEMBL21556973 | 0.81 | EPHX2 (0.41) | EPHX2NR1H4CA1CA2HDAC3 | |
| SCHEMBL15125586 | 0.79 | EPHX2 (0.55) | EPHX2NR1H4CA1CA2HDAC3 | |
| SCHEMBL3672272 | 0.78 | CYP2C9 (0.48) | CA1CA2MEN1CYP2C19KMT2A | |
| SCHEMBL27113497 | 0.76 | EPHX2 (0.41) | EPHX2NR1H4CA1CA2CA7 | |
| SCHEMBL4020664 | 0.76 | IDO1 (0.56) | EPHX2SMN1; SMN2CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL30996799 | 0.75 | IDO1 (0.57) | SMN1; SMN2CA1CA2CA7HDAC3 | |
| SCHEMBL21557000 | 0.73 | EPHX2 (0.39) | EPHX2NR1H4CA1CA2CA7 | |
| SCHEMBL22010458 | 0.73 | EPHX2 (0.39) | EPHX2NR1H4SMN1; SMN2CA1CA2 | |
| SCHEMBL18401332 | 0.73 | CYP2C9 (0.41) | CYP3A4CA1CA2CA7MEN1 |
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-3567029-A1 | COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS | Lantheus Medical Imaging, Inc. (US) | 2019-11-13 | — | — | EP | disclosed |