Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL26962235 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL2712060 | 0.92 | SMN1; SMN2 (0.77) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL29797014 | 0.90 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL830296 | 0.90 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL6473595 | 0.86 | HTT (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15084818 | 0.86 | HTT (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15084666 | 0.86 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL12071947 | 0.86 | SMN1; SMN2 (0.85) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL5350590 | 0.86 | SMN1; SMN2 (0.85) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL12070966 | 0.85 | SMN1; SMN2 (0.84) | SMN1; SMN2NPC1RAB9ACYP2C19HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |
| WO-2022171745-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2022-08-18 | — | — | WO | disclosed |