Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25408967 | 1.00 | HDAC3 (0.52) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL25408963 | 1.00 | HDAC3 (0.52) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL25408970 | 1.00 | HDAC3 (0.52) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL25409864 | 0.92 | OPRK1 (0.52) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL31366637 | 0.92 | OPRK1 (0.52) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL25409870 | 0.92 | OPRK1 (0.52) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL25412548 | 0.91 | HDAC3 (0.49) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL25412545 | 0.91 | HDAC3 (0.49) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL25412551 | 0.91 | HDAC3 (0.49) | HDAC3HDAC1HDAC6OPRK1LMNA | |
| SCHEMBL31366607 | 0.91 | HDAC3 (0.49) | HDAC3HDAC1HDAC6OPRK1LMNA |
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-119072467-A | Novel diazapine compounds targeting yellow fever virus non-structural 4B (NS 4B) protein and methods of use thereof | 巴鲁克斯布伦博格研究所 | 2024-12-03 | — | — | CN | disclosed |