Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | ACP3 | P15309 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ACACB | O00763 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17186397 | 0.92 | ALDH1A1 (0.68) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL17186618 | 0.92 | ALDH1A1 (0.68) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL17193735 | 0.92 | ALDH1A1 (0.68) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL17186493 | 0.92 | ALDH1A1 (0.68) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL17186620 | 0.92 | ALDH1A1 (0.68) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL17186621 | 0.92 | ALDH1A1 (0.68) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL278257 | 0.91 | CA1 (0.55) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL12870269 | 0.91 | CA1 (0.55) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL13741075 | 0.91 | CA1 (0.55) | CA1CA2ACHEALDH1A1ACP3 | |
| SCHEMBL6224228 | 0.85 | CASR (0.63) | CA1CA2ACHEALDH1A1ACP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | claimed |
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | disclosed |