Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.45 |
| ▸ | CA1 | P00915 | 7/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28160464 | 1.00 | CA2 (0.45) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL27493474 | 0.88 | CA2 (0.43) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL7092580 | 0.81 | CA2 (0.59) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL7092581 | 0.81 | CA2 (0.59) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL7786989 | 0.81 | CA2 (0.44) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL7786991 | 0.81 | CA2 (0.44) | CA2CA1CA9CA12ALDH1A1 | |
| SCHEMBL7091721 | 0.79 | CA2 (0.48) | CA2CA1CA9CA12HIF1A | |
| SCHEMBL7091722 | 0.79 | CA2 (0.48) | CA2CA1CA9CA12HIF1A | |
| SCHEMBL7787051 | 0.77 | ALDH1A1 (0.46) | CA2CA1ALDH1A1HIF1ANPC1 | |
| SCHEMBL7787047 | 0.77 | ALDH1A1 (0.46) | CA2CA1ALDH1A1HIF1ANPC1 |
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-114634456-A | 5-nitroimino-4H-1, 2, 4-triazole compound and preparation method and application thereof | 赣南师范大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-105130843-B | Benzyl hydrazone compounds and preparation method and application | 中国农业大学 | 2017-08-04 | — | — | CN | disclosed |