Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.40 |
| ▸ | QPCT | Q16769 | 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 | |
|---|---|---|---|---|
| SCHEMBL22957856 | 0.83 | HDAC3 (0.49) | MAPTHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL3130662 | 0.81 | MCL1 (0.53) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL9903529 | 0.80 | CHRM2 (0.52) | MAPTHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL16797883 | 0.79 | HDAC3 (0.46) | MAPTALDH1A1GAAHDAC3HDAC1 | |
| SCHEMBL29808598 | 0.79 | GAA (0.54) | ALDH1A1GAAHDAC3HDAC1HDAC2 | |
| SCHEMBL24018796 | 0.79 | ALDH1A1 (0.54) | MAPTALDH1A1GAASLC6A2SLC6A4 | |
| SCHEMBL13875905 | 0.79 | HTT (0.51) | HDAC3HDAC1HDAC2HDAC6TACR1 | |
| SCHEMBL29412971 | 0.79 | GRIN2B (0.47) | HDAC3HDAC1HDAC2HDAC6TACR1 | |
| SCHEMBL40091 | 0.79 | GRIN2B (0.47) | HDAC3HDAC1HDAC2HDAC6TACR1 | |
| SCHEMBL4659240 | 0.78 | HDAC3 (0.46) | HDAC3HDAC1HDAC2HDAC6GRIN2B |
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-2022258052-A1 | HETEROCYCLIC LACTAM COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-12-15 | — | — | WO | disclosed |