Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30522049 | 0.88 | CA2 (0.40) | BRD4CA4CA12CA2CA9 | |
| SCHEMBL30522048 | 0.86 | BRD4 (0.40) | BRD4CA4CA12CA2CA9 | |
| SCHEMBL30522032 | 0.85 | CRHR1 (0.38) | BRD4CA4CA2CA1 | |
| SCHEMBL30522045 | 0.84 | CA4 (0.38) | BRD4CA4CA12CA2CA9 | |
| SCHEMBL30522050 | 0.84 | CA4 (0.39) | BRD4CA4CA12CA2CA9 | |
| SCHEMBL30522034 | 0.84 | HTT (0.44) | CA4CA12CA2CA9CA1 | |
| SCHEMBL30522043 | 0.81 | CA2 (0.38) | BRD4CA4CA12CA2CA9 | |
| SCHEMBL30522039 | 0.81 | CA4 (0.38) | BRD4CA4CA12CA2CA9 | |
| SCHEMBL30522040 | 0.81 | CA4 (0.38) | BRD4CA4CA12CA2CA9 | |
| SCHEMBL30522047 | 0.80 | CA4 (0.38) | BRD4CA4CA12CA2CA9 |
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-113651766-B | Isoxazole sulfonamide compound with BRD4 inhibitory activity, and preparation method and application thereof | 泰州职业技术学院 | 2023-08-18 | — | — | CN | disclosed |