Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.41 |
| ▸ | RHOC | P08134 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14214023 | 0.82 | CES2 (0.47) | CES2GAAHDAC3HDAC6HDAC1 | |
| SCHEMBL30554615 | 0.79 | P2RX1 (0.65) | HDAC3HDAC6HDAC8P2RX1RHOC | |
| SCHEMBL3246188 | 0.79 | P2RX1 (0.65) | HDAC3HDAC6HDAC8P2RX1RHOC | |
| SCHEMBL13753158 | 0.79 | DDR1 (0.47) | CES2GAAHDAC3HDAC6HDAC1 | |
| SCHEMBL27757817 | 0.79 | CES2 (0.56) | CES2GAAHDAC3HDAC6HDAC1 | |
| SCHEMBL13753151 | 0.78 | NPSR1 (0.63) | CES2GAADDR1HDAC8NOTUM | |
| SCHEMBL13753001 | 0.78 | DDR1 (0.55) | CES2GAADDR1VNN1TACR1 | |
| SCHEMBL586089 | 0.77 | HCAR1 (0.55) | CES2VNN1 | |
| SCHEMBL1827001 | 0.77 | CES2 (0.54) | CES2GAAHDAC3HDAC6HDAC1 | |
| SCHEMBL30770849 | 0.77 | HCAR1 (0.55) | CES2VNN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023168378-A1 | PI3KA INHIBITORS | SYNNOVATION THERAPEUTICS, INC. (US) | 2023-09-07 | — | — | WO | disclosed |
| WO-2023098880-A1 | FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2023-06-08 | — | — | WO | disclosed |