Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | CCKBR | P32239 | 5/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25409243 | 1.00 | HDAC3 (0.54) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25409252 | 1.00 | HDAC3 (0.54) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25409246 | 1.00 | HDAC3 (0.54) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25408947 | 0.92 | HDAC3 (0.47) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL31366538 | 0.92 | HDAC3 (0.47) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25408950 | 0.92 | HDAC3 (0.47) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25408952 | 0.92 | HDAC3 (0.47) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25409737 | 0.92 | HDAC3 (0.54) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25409731 | 0.92 | HDAC3 (0.54) | HDAC3HDAC1HDAC6LMNAOPRK1 | |
| SCHEMBL25409727 | 0.92 | HDAC3 (0.54) | HDAC3HDAC1HDAC6LMNAOPRK1 |
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 |