Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.30 |
| ▸ | EEF2K | O00418 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL25196294 | 1.00 | AR (0.33) | ARHTR2AHTR2CHTR2BKCNH2 | |
| SCHEMBL22532038 | 0.82 | ESR1 (0.31) | ARESR1ESR2 | |
| SCHEMBL30496843 | 0.82 | ESR1 (0.31) | ARESR1ESR2 | |
| SCHEMBL23376857 | 0.80 | ESR1 (0.36) | HTR2AHTR2CHTR2BKCNH2ESR1 | |
| SCHEMBL29726035 | 0.78 | AR (0.32) | ARHTR2AHTR2CHTR2B | |
| SCHEMBL846418 | 0.78 | AR (0.32) | ARHTR2AHTR2CHTR2B | |
| SCHEMBL17441673 | 0.77 | KDM1A (0.40) | KDM1A | |
| SCHEMBL17441194 | 0.76 | KDM1A (0.34) | KDM1A | |
| SCHEMBL23364873 | 0.76 | MAP3K14 (0.38) | ESR1ESR2 | |
| SCHEMBL22532060 | 0.76 | MAP3K14 (0.38) | ESR1ESR2 |
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 |