Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25419864 | 1.00 | DRD4 (0.34) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25418293 | 0.81 | DRD2 (0.34) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29818457 | 0.81 | DRD2 (0.34) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29818528 | 0.80 | HIF1A (0.36) | NPSR1 | |
| SCHEMBL25418401 | 0.80 | HIF1A (0.36) | NPSR1 | |
| SCHEMBL25417965 | 0.75 | CNR2 (0.39) | DRD4 | |
| SCHEMBL29818529 | 0.75 | CNR2 (0.39) | DRD4 | |
| SCHEMBL25417390 | 0.70 | KDM2B (0.36) | — | |
| SCHEMBL29818587 | 0.70 | KDM2B (0.36) | — | |
| SCHEMBL25742554 | 0.65 | GLA (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |