Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.52 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.52 |
| ▸ | TUBB | P07437 | 3/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.52 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.52 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10873515 | 0.87 | ERN1 (0.58) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL5724135 | 0.85 | PARP1 (0.56) | SLC6A3SLC6A4SLC6A2TUBB4ATUBB | |
| SCHEMBL19512829 | 0.84 | SLC6A3 (0.64) | SLC6A3SLC6A4SLC6A2ROCK2CSF1R | |
| SCHEMBL20928284 | 0.81 | SLC6A3 (0.57) | SLC6A3SLC6A4SLC6A2ROCK2CSF1R | |
| SCHEMBL30285287 | 0.79 | SLC6A3 (0.71) | SLC6A3SLC6A4SLC6A2ROCK2CSF1R | |
| SCHEMBL22381391 | 0.79 | PGR (0.62) | KDRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL1618022 | 0.79 | HTT (0.60) | SLC6A3SLC6A4SLC6A2ROCK2CSF1R | |
| SCHEMBL8923988 | 0.78 | SLC6A3 (0.73) | SLC6A3SLC6A4SLC6A2ROCK2CSF1R | |
| SCHEMBL28893993 | 0.78 | SLC6A3 (0.64) | SLC6A3SLC6A4SLC6A2ROCK2CSF1R | |
| SCHEMBL4681449 | 0.77 | ALDH1A1 (0.53) | LMNAMAPTNPSR1HTTKDM4E |
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-2019076343-A1 | PD-1/PD-L1 SMALL-MOLECULE INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海长森药业有限公司 | 2019-04-25 | — | — | WO | disclosed |