Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.33 |
| ▸ | TUBB | P07437 | 2/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.33 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.33 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.33 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.33 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.33 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961891 | 0.93 | KCNH2 (0.34) | PDE4BKCNH2MCHR1S1PR3MAPT | |
| SCHEMBL26962312 | 0.89 | PDE4B (0.39) | PDE4BKCNH2MCHR1S1PR3MAPT | |
| SCHEMBL26961854 | 0.85 | LMNA (0.33) | MAPTNPY1RLMNA | |
| SCHEMBL26962059 | 0.85 | S1PR1 (0.32) | PDE4BNPY1R | |
| SCHEMBL26963017 | 0.84 | HDAC6 (0.36) | KCNH2MCHR1MAPTNPY1RLMNA | |
| SCHEMBL26961745 | 0.83 | PDE4B (0.40) | PDE4BKCNH2MCHR1MAPTNPY1R | |
| SCHEMBL26961999 | 0.82 | KCNH2 (0.36) | PDE4BKCNH2MCHR1MAPTALDH1A1 | |
| SCHEMBL26961895 | 0.81 | THRB (0.35) | MAPTALDH1A1SMONPY1R | |
| SCHEMBL26962147 | 0.80 | THRB (0.37) | PDE4BMAPTNPY1RLMNAUSP30 | |
| SCHEMBL26961644 | 0.79 | THRB (0.35) | PDE4BMAPTNPY1RUSP30 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |