Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 11/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31249950 | 0.88 | HDAC1 (0.54) | HDAC1HDAC6CYP19A1PDE4BCYP1A2 | |
| SCHEMBL774513 | 0.83 | HDAC1 (0.69) | HDAC1HDAC6CYP19A1PDE4BFLT1 | |
| SCHEMBL31249943 | 0.77 | HDAC1 (0.60) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL31249902 | 0.75 | HDAC1 (0.52) | HDAC1HDAC6CYP19A1PDE4BCYP1A2 | |
| SCHEMBL17159812 | 0.75 | CYP19A1 (0.80) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL307542 | 0.74 | CYP19A1 (0.67) | HDAC1HDAC6CYP19A1CYP3A4 | |
| SCHEMBL3235365 | 0.72 | CYP19A1 (0.69) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL31249954 | 0.72 | HDAC1 (0.55) | HDAC1HDAC6CYP19A1CYP3A4 | |
| SCHEMBL599174 | 0.72 | HDAC1 (0.70) | HDAC1HDAC6CYP19A1PDE4B | |
| SCHEMBL4873932 | 0.71 | CYP19A1 (0.67) | HDAC1HDAC6CYP19A1 |
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-113880780-B | Benzamidine derivative, preparation method and application | 西北农林科技大学 | 2024-10-11 | — | — | CN | disclosed |