Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.39 |
| ▸ | JAK1 | P23458 | 2/20 | 0.39 |
| ▸ | FPR1 | P21462 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13279467 | 0.80 | CYP3A4 (0.54) | CYP3A4NOTUMHRH4HRH3 | |
| SCHEMBL21619788 | 0.77 | NOTUM (0.51) | CYP3A4NOTUMFPR1FPR2HTR2C | |
| SCHEMBL27389111 | 0.77 | MCHR1 (0.49) | — | |
| SCHEMBL14450799 | 0.77 | MCHR1 (0.49) | — | |
| SCHEMBL14924424 | 0.77 | MCHR1 (0.49) | — | |
| SCHEMBL14438088 | 0.75 | FPR2 (0.46) | CYP3A4NOTUMFPR2ALDH1A1 | |
| SCHEMBL12074153 | 0.74 | ADRB1 (0.41) | HTR2AHTR2CALDH1A1 | |
| SCHEMBL2056174 | 0.74 | HTR2A (0.58) | CYP3A4HTR2AHTR2CALDH1A1 | |
| SCHEMBL24782861 | 0.74 | NOTUM (0.46) | CYP3A4NOTUM | |
| SCHEMBL23636616 | 0.74 | LIPG (0.51) | NOTUM |
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 |