Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | TEK | Q02763 | 4/20 | 0.44 |
| ▸ | KDR | P35968 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29710493 | 1.00 | CA2 (0.55) | CA2CA1CA5ACA5BSRC | |
| SCHEMBL28579357 | 0.84 | KEAP1 (0.44) | CA2CA1CA5ACA5BKEAP1 | |
| SCHEMBL29710494 | 0.84 | KEAP1 (0.44) | CA2CA1CA5ACA5BKEAP1 | |
| SCHEMBL31469506 | 0.84 | KEAP1 (0.45) | CA2CA1CA5ACA5BKEAP1 | |
| SCHEMBL31469553 | 0.84 | CHRNB2 (0.44) | CA2CA1CA5ACA5BMAPT | |
| SCHEMBL26252983 | 0.83 | CA2 (0.57) | CA2CA1CA5ACA5BSRC | |
| SCHEMBL30938679 | 0.83 | CA2 (0.57) | CA2CA1CA5ACA5BSRC | |
| SCHEMBL28229563 | 0.82 | PTGS2 (0.55) | CA2CA1CA5ACA5BSRC | |
| SCHEMBL29710495 | 0.81 | STIM1 (0.50) | CA2CA1KEAP1NFE2L2HDAC3 | |
| SCHEMBL28562832 | 0.81 | STIM1 (0.50) | CA2CA1KEAP1NFE2L2HDAC3 |
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-112125891-B | N2Selective tetrahydrofuran/tetrahydrothiophene substituted triazole derivative and synthesis method and application thereof | 华东师范大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-112125891-A | N2Selective tetrahydrofuran/tetrahydrothiophene substituted triazole derivative and synthesis method and application thereof | 华东师范大学 | 2020-12-25 | — | — | CN | disclosed |