Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27348494 | 0.83 | MAOA (0.47) | HDAC6HDAC2P2RX4KDM4EALDH1A1 | |
| SCHEMBL2216252 | 0.80 | CYP19A1 (0.70) | HDAC6HDAC2HDAC3CYP19A1P2RX4 | |
| SCHEMBL27917544 | 0.78 | HDAC2 (0.57) | HDAC6HDAC2HDAC3CYP19A1TSHR | |
| SCHEMBL27350940 | 0.77 | HDAC2 (0.57) | HDAC6HDAC2HDAC3CYP19A1P2RX4 | |
| SCHEMBL16066039 | 0.77 | PTGDR2 (0.64) | HDAC6HDAC3CYP19A1PTGDR2P2RX4 | |
| SCHEMBL25382673 | 0.74 | HDAC6 (0.57) | HDAC6HDAC2HDAC3CYP19A1HDAC1 | |
| SCHEMBL28966136 | 0.74 | HDAC6 (1.00) | HDAC6HDAC2HDAC3HDAC1HDAC10 | |
| SCHEMBL28266227 | 0.73 | CYP19A1 (0.58) | HDAC6HDAC3CYP19A1PTGDR2P2RX4 | |
| SCHEMBL27899796 | 0.72 | MEN1 (0.58) | HDAC6HDAC2CYP19A1KDM4EALDH1A1 | |
| SCHEMBL21396929 | 0.72 | CYP19A1 (0.70) | HDAC6CYP19A1P2RX4HDAC1HDAC10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023242631-A1 | ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | LEGOCHEM BIOSCIENCES, INC. (KR) | 2023-12-21 | — | — | WO | disclosed |