Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL31069321 | 0.90 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL31069335 | 0.87 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL31069365 | 0.85 | CYP3A4 (0.36) | CYP3A4PTGDR2CCR2 | |
| SCHEMBL31069426 | 0.80 | CYP3A4 (0.35) | CYP3A4PTGDR2KDM4E | |
| SCHEMBL18056694 | 0.79 | CYP11B2 (0.39) | CYP3A4PTGDR2 | |
| SCHEMBL31069270 | 0.79 | HDAC1 (0.32) | CYP3A4CCR2 | |
| SCHEMBL31069396 | 0.78 | — | — | |
| SCHEMBL31069330 | 0.77 | CYP3A4 (0.36) | CYP3A4PTGDR2 | |
| SCHEMBL31069420 | 0.77 | SLC6A2 (0.33) | CCR2 | |
| SCHEMBL31069293 | 0.77 | PTGS2 (0.33) | CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | claimed |
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | disclosed |