Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29828650 | 1.00 | CYP3A4 (0.47) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL29096836 | 1.00 | CYP3A4 (0.47) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL27032731 | 0.93 | CYP3A4 (0.48) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL27129004 | 0.93 | CYP3A4 (0.48) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL29097261 | 0.88 | CYP3A4 (0.48) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL30639635 | 0.88 | CYP3A4 (0.48) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL29828762 | 0.88 | CYP3A4 (0.48) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL27032853 | 0.81 | ATM (0.53) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL27129541 | 0.81 | ATM (0.53) | CYP3A4ATMHDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL30639535 | 0.81 | AKT1 (0.46) | — |
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-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |