Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 5/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RORA | P35398 | 3/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19987486 | 0.88 | PSIP1 (0.52) | GAAPSIP1NR1I2HDAC8HDAC6 | |
| SCHEMBL29200077 | 0.79 | GAA (0.47) | GAAPSIP1RORCKMT2ARORA | |
| SCHEMBL28631313 | 0.79 | GAA (0.47) | GAAPSIP1RORCHSD11B1KMT2A | |
| SCHEMBL17720261 | 0.79 | GAA (0.47) | GAAPSIP1RORCKMT2ARORA | |
| SCHEMBL17688647 | 0.78 | GAA (0.50) | GAAPSIP1RORCRORACA2 | |
| SCHEMBL21570457 | 0.78 | GAA (0.50) | GAAPSIP1RORCRORACA2 | |
| SCHEMBL17688652 | 0.78 | GAA (0.50) | GAAPSIP1RORCRORACA2 | |
| SCHEMBL23636841 | 0.77 | GAA (0.42) | GAAPSIP1RORCESR1KMT2A | |
| SCHEMBL11077494 | 0.77 | PSIP1 (0.57) | GAAPSIP1NR1I2RORCKMT2A | |
| Hydrochloric Acid SCHEMBL18440748 | 0.76 | GAA (0.53) | GAAPSIP1RORCRORACA2 |
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-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 东莞市东阳光新药研发有限公司 | 2021-07-15 | — | — | WO | disclosed |