Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 7/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.30 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25206827 | 1.00 | EPHX2 (0.39) | EPHX2LRRK2KDM2BKDM4CBDKRB1 | |
| SCHEMBL25212088 | 0.81 | BDKRB1 (0.35) | EPHX2LRRK2KDM2BKDM4CBDKRB1 | |
| SCHEMBL29818560 | 0.81 | BDKRB1 (0.35) | EPHX2LRRK2KDM2BKDM4CBDKRB1 | |
| SCHEMBL25841139 | 0.76 | ADORA2A (0.33) | PIK3CDPPARA | |
| SCHEMBL29818380 | 0.74 | MAP3K12 (0.32) | PIK3CD | |
| SCHEMBL25220419 | 0.74 | MAP3K12 (0.32) | PIK3CD | |
| SCHEMBL25417815 | 0.72 | SMN1; SMN2 (0.46) | LRRK2KCNJ5KCNJ3 | |
| SCHEMBL29818594 | 0.72 | SMN1; SMN2 (0.46) | LRRK2KCNJ5KCNJ3 | |
| SCHEMBL25417390 | 0.71 | KDM2B (0.36) | KDM2BKDM4C | |
| SCHEMBL17729276 | 0.71 | ALDH1A1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4284804-A1 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | Schrödinger, Inc. (US) | 2023-12-06 | — | — | EP | disclosed |
| CN-117120442-A | Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders | 薛定谔公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022164789-A9 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | SCHRÖDINGER, INC. (US) | 2023-05-25 | — | — | WO | disclosed |
| WO-2022164789-A1 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS | SCHRÖDINGER, INC. (US) | 2022-08-04 | — | — | WO | disclosed |