Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133683 | 0.85 | TSHR (0.49) | TSHRALDH1A1LMNACYP2C19CYP3A4 | |
| SCHEMBL21556951 | 0.82 | TSHR (0.41) | TSHRSLC5A1SLC5A2ALDH1A1LMNA | |
| SCHEMBL9018905 | 0.79 | TSHR (0.54) | TSHRALDH1A1LMNAKDM4EHSP90AA1 | |
| SCHEMBL4872353 | 0.77 | TSHR (0.72) | TSHRALDH1A1CYP2C19CYP3A4KMT2A | |
| SCHEMBL6413351 | 0.77 | GAA (0.54) | TSHRALDH1A1LMNACYP2C19PLA2G1B | |
| SCHEMBL5188628 | 0.77 | HTR2A (0.46) | SLC5A1SLC5A2ALDH1A1PKMHSP90AA1 | |
| SCHEMBL1500536 | 0.76 | TSHR (0.51) | TSHRALDH1A1PKMLMNAKDM4E | |
| SCHEMBL19143126 | 0.74 | LTA4H (0.46) | TSHRALDH1A1PKMKDM4EKEAP1 | |
| SCHEMBL6648010 | 0.73 | GAA (0.48) | TSHRALDH1A1LMNAKEAP1 | |
| SCHEMBL3284499 | 0.73 | ALDH1A1 (0.43) | TSHRALDH1A1LMNAKDM4ECYP2C19 |
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 |