Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21619819 | 0.88 | ACACB (0.46) | CYP3A4SCN10AACACBAOC3HTR2C | |
| SCHEMBL21616639 | 0.85 | KDM4E (0.48) | CYP3A4SCN10AACACBKDM4EABL1 | |
| SCHEMBL21620194 | 0.84 | ACACB (0.43) | CYP3A4SCN10AACACBAOC3HTR2C | |
| SCHEMBL28539978 | 0.82 | ACACB (0.41) | CYP3A4SCN10AACACBAOC3LMNA | |
| SCHEMBL21616651 | 0.81 | NOTUM (0.44) | CYP3A4SCN10AAOC3HTR2CAVPR1A | |
| SCHEMBL30474468 | 0.81 | NOTUM (0.44) | CYP3A4SCN10AAOC3HTR2CAVPR1A | |
| SCHEMBL30474519 | 0.80 | NOTUM (0.51) | CYP3A4SCN10AAOC3HTR2CLMNA | |
| SCHEMBL28542895 | 0.78 | PDE10A (0.46) | SCN10AAOC3KDM1APROKR1AVPR1A | |
| SCHEMBL30474436 | 0.78 | PDE10A (0.46) | SCN10AAOC3KDM1APROKR1AVPR1A | |
| SCHEMBL21619828 | 0.75 | ACACB (0.47) | CYP3A4ACACBKDM4EABL1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112513021-B | ROR gamma antagonist and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-112513021-A | ROR gamma antagonist and application thereof in medicine | 广东东阳光药业有限公司 | 2021-03-16 | — | — | CN | disclosed |
| WO-2020011147-A1 | RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2020-01-16 | — | — | WO | disclosed |