Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.43 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL25216637 | 1.00 | AAK1 (0.46) | AAK1CYP17A1BRD9HDAC3IRAK4 | |
| SCHEMBL5869249 | 0.85 | AAK1 (0.48) | AAK1CYP17A1BRD9HDAC3IRAK4 | |
| SCHEMBL31109020 | 0.82 | ABCB1 (0.42) | CYP17A1BRD9 | |
| SCHEMBL25214659 | 0.82 | ABCB1 (0.42) | CYP17A1BRD9 | |
| SCHEMBL25214140 | 0.81 | AAK1 (0.51) | AAK1CYP17A1BRD9HDAC1METAP1 | |
| SCHEMBL2133767 | 0.80 | AAK1 (0.52) | AAK1CYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL29530597 | 0.80 | AAK1 (0.52) | AAK1CYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL30058636 | 0.79 | AAK1 (0.68) | AAK1CYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL5868960 | 0.79 | AAK1 (0.68) | AAK1CYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL30118372 | 0.79 | AAK1 (0.48) | AAK1CYP17A1HDAC3HDAC1HDAC2 |
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-4441033-A1 | NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF | Tango Therapeutics, Inc. (US) | 2024-10-09 | — | — | EP | disclosed |
| WO-2023102162-A1 | TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF | TANGO THERAPEUTICS, INC. (US) | 2023-06-08 | — | — | WO | disclosed |