Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | EED | O75530 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL962423 | 1.00 | ABCG2 (0.44) | ABCG2PKMTSHRMAOBLMNA | |
| SCHEMBL29698826 | 0.84 | MTNR1A (0.45) | LMNAKDM4EMTNR1A | |
| SCHEMBL1082629 | 0.84 | MTNR1A (0.45) | LMNAKDM4EMTNR1A | |
| SCHEMBL21979749 | 0.81 | MTNR1A (0.40) | MAOBKDM4EMTNR1A | |
| SCHEMBL27718874 | 0.80 | ABCG2 (0.38) | ABCG2MAOBLMNAPOLBMAPK1 | |
| SCHEMBL4650796 | 0.77 | NPC1 (0.36) | ABCG2PKMTSHRMAOBLMNA | |
| SCHEMBL29950897 | 0.73 | AOC3 (0.39) | ABCG2ALDH1A1 | |
| SCHEMBL1224244 | 0.73 | AOC3 (0.39) | ABCG2ALDH1A1 | |
| SCHEMBL423289 | 0.72 | ABCG2 (0.50) | ABCG2PKMTSHRMAOBPOLB | |
| SCHEMBL118556 | 0.72 | ABCG2 (0.50) | ABCG2PKMTSHRMAOBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| WO-2022114117-A1 | PALLADIUM COMPLEX, COUPLING REACTION CATAYLST, AND METHOD FOR PRODUCING AROMATIC COMPOUND | エヌ・イーケムキャット株式会社 | 2022-06-02 | — | — | WO | disclosed |