Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29630709 | 0.92 | ACHE (0.48) | HDAC4HDAC1HDAC6CYP3A4PDE4A | |
| SCHEMBL28633468 | 0.89 | KMT2A (0.46) | HDAC4HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL28647745 | 0.88 | HDAC1 (0.47) | HDAC4HDAC1HDAC6CYP3A4MEN1 | |
| SCHEMBL30604579 | 0.87 | GRM5 (0.58) | MEN1KMT2APDE4AGRM5SMN1; SMN2 | |
| SCHEMBL28641201 | 0.87 | GRM5 (0.58) | MEN1KMT2APDE4AGRM5SMN1; SMN2 | |
| SCHEMBL24823388 | 0.81 | HDAC1 (0.50) | HDAC4HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL28656932 | 0.81 | HDAC1 (0.53) | HDAC4HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL3975612 | 0.81 | MAPT (0.43) | HDAC4HDAC1HDAC6CYP3A4MEN1 | |
| SCHEMBL28638165 | 0.81 | MEN1 (0.57) | HDAC4HDAC1HDAC6CYP3A4MEN1 | |
| SCHEMBL1002943 | 0.80 | ADAM17 (0.57) | MEN1KMT2AGRM5ALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113493438-B | Tetrahydroisoquinoline compounds | 南京再明医药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113493438-A | Tetrahydroisoquinoline compounds | 江苏先声药业有限公司 | 2021-10-12 | — | — | CN | disclosed |