Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 5/20 | 0.40 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3265565 | 0.80 | PLAU (0.38) | CYP17A1CYP1A2 | |
| SCHEMBL18394388 | 0.78 | CYP17A1 (0.35) | CYP17A1CYP1A2 | |
| SCHEMBL950266 | 0.78 | ALDH1A1 (0.44) | RPS6KA5CYP17A1CYP1A2 | |
| SCHEMBL12528560 | 0.78 | HSD11B1 (0.42) | PDE10ACYP17A1CYP1A2 | |
| SCHEMBL27686519 | 0.78 | BCHE (0.41) | PDE10AGRM5DRD2CYP1A2 | |
| SCHEMBL25208515 | 0.76 | EGLN2 (0.35) | PDE10AGRM5EGLN2 | |
| SCHEMBL29818491 | 0.76 | EGLN2 (0.35) | PDE10AGRM5EGLN2 | |
| SCHEMBL10910898 | 0.74 | GRM5 (0.66) | PDE10AGRM5DRD2 | |
| SCHEMBL2559023 | 0.72 | GRM5 (0.34) | GRM5 | |
| SCHEMBL13484047 | 0.72 | ADORA2A (0.37) | GRM5RPS6KA5DRD2HTR2AHTR1A |
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-2022164789-A9 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | SCHRÖDINGER, INC. (US) | 2023-05-25 | — | — | WO | disclosed |