Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL169852 | 1.00 | MAPT (0.33) | MAPTHDAC6DGAT1HDAC3HDAC1 | |
| SCHEMBL13969979 | 0.82 | MAPT (0.44) | MAPTALDH1A1LMNAPGRADORA3 | |
| SCHEMBL9859616 | 0.80 | MAPT (0.39) | MAPTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL9859623 | 0.80 | MAPT (0.39) | MAPTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL18119903 | 0.79 | HCAR2 (0.52) | MAPTALDH1A1KEAP1NFE2L2HCAR2 | |
| SCHEMBL21458788 | 0.79 | MEN1 (0.37) | MAPTHTT | |
| SCHEMBL5983587 | 0.78 | CTSK (0.40) | MAPTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL5983589 | 0.78 | CTSK (0.40) | MAPTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL28698941 | 0.78 | MAPT (0.34) | MAPTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL10378199 | 0.77 | MAPT (0.44) | MAPTALDH1A1LMNAPGRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |