Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9806067 | 0.90 | TSHR (0.48) | TSHRCA14CA12TDP1L3MBTL1 | |
| SCHEMBL19492 | 0.84 | SMN1; SMN2 (0.48) | TSHRSMN1; SMN2CA14CA12HCAR2 | |
| SCHEMBL27764478 | 0.78 | TSHR (0.48) | TSHRCA14CA12TDP1L3MBTL1 | |
| SCHEMBL6323020 | 0.76 | TSHR (0.40) | TSHRHCAR2 | |
| SCHEMBL7631894 | 0.75 | TSHR (0.43) | TSHRSMN1; SMN2CA14CA12TDP1 | |
| SCHEMBL622787 | 0.75 | TSHR (0.43) | TSHRSMN1; SMN2CA14CA12TDP1 | |
| SCHEMBL11941667 | 0.75 | TSHR (0.43) | TSHRSMN1; SMN2CA14CA12TDP1 | |
| SCHEMBL27098421 | 0.74 | — | — | |
| SCHEMBL15210417 | 0.74 | — | — | |
| SCHEMBL7638966 | 0.73 | SMN1; SMN2 (0.41) | SMN1; SMN2CA14CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023142739-A1 | LITHIUM BATTERY ELECTROLYTE HAVING LITHIUM BORATE SALT AND TRIFLUOROACETAMIDE COMPOUND | 西湖大学 | 2023-08-03 | — | — | WO | disclosed |