Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.83 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 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 | |
|---|---|---|---|---|
| SCHEMBL19260336 | 0.97 | ACHE (0.88) | ACHETSHRCES2CES1ALDH1A1 | |
| SCHEMBL29488781 | 0.91 | — | — | |
| SCHEMBL11837 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL29088489 | 0.88 | ACHE (0.94) | ACHETSHRALDH1A1CA1CA2 | |
| Fluoride SCHEMBL21816907 | 0.88 | ACHE (0.94) | ACHETSHRALDH1A1CA1CA2 | |
| Iodide SCHEMBL27592623 | 0.88 | — | — | |
| SCHEMBL29176814 | 0.88 | — | — | |
| Fluoride SCHEMBL28142665 | 0.88 | — | — | |
| SCHEMBL28136915 | 0.88 | — | — | |
| Bromide SCHEMBL27519869 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113185404-B | 1, 2-biaxial chiral biaryl compound and preparation method and application thereof | 武汉大学 | 2022-08-05 | — | — | CN | disclosed |