Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31249913 | 0.88 | HDAC1 (0.56) | HDAC1HDAC6CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL774513 | 0.82 | HDAC1 (0.69) | HDAC1HDAC6CYP19A1PDE4B | |
| SCHEMBL31249902 | 0.80 | HDAC1 (0.52) | HDAC1HDAC6CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL31249940 | 0.77 | CYP19A1 (0.42) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL31249954 | 0.77 | HDAC1 (0.55) | HDAC1HDAC6CYP19A1CYP3A4 | |
| SCHEMBL31249943 | 0.76 | HDAC1 (0.60) | HDAC1HDAC6CYP19A1KLKB1 | |
| SCHEMBL17159812 | 0.74 | CYP19A1 (0.80) | HDAC1HDAC6CYP19A1 | |
| SCHEMBL309621 | 0.73 | CYP19A1 (0.67) | HDAC1HDAC6CYP19A1CYP3A4 | |
| SCHEMBL10066395 | 0.73 | HDAC1 (0.60) | HDAC1HDAC6CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL305970 | 0.72 | HDAC1 (0.68) | HDAC1HDAC6CYP19A1CYP1A2CYP3A4 |
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 |