Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 3/20 | 0.35 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | PKLR | P30613 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | GALR1 | P47211 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29077199 | 1.00 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC6SLC6A9 | |
| SCHEMBL25381584 | 0.84 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC6SLC6A9 | |
| SCHEMBL29077182 | 0.80 | EPHX1 (0.41) | EPHX1PDE2AOPRL1 | |
| SCHEMBL29077179 | 0.80 | EPHX1 (0.41) | EPHX1PDE2AOPRL1 | |
| SCHEMBL30207557 | 0.78 | SLC6A9 (0.41) | HDAC3HDAC1HDAC2HDAC6SLC6A9 | |
| SCHEMBL21452177 | 0.78 | SLC6A9 (0.41) | HDAC3HDAC1HDAC2HDAC6SLC6A9 | |
| SCHEMBL30207558 | 0.78 | SLC6A9 (0.41) | HDAC3HDAC1HDAC2HDAC6SLC6A9 | |
| SCHEMBL29077186 | 0.77 | CNR2 (0.38) | EPHX1 | |
| SCHEMBL29077176 | 0.76 | HDAC4 (0.33) | SLC6A9PKLREPHX2GRIN1GRIN2A | |
| SCHEMBL21451899 | 0.76 | TACR1 (0.41) | HDAC3HDAC1HDAC2HDAC6SLC6A9 |
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-116730853-A | Novel aminoketone compound and preparation method and application thereof | 上海致根医药科技有限公司 | 2023-09-12 | — | — | CN | disclosed |