Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GNRHR | P30968 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 4/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL31069446 | 0.89 | GNRHR (0.38) | GRM2CYP3A4KDM4ECYP1A2CYP2C19 | |
| SCHEMBL31069459 | 0.83 | KDM4E (0.41) | GRM2CYP3A4KDM4ECYP1A2CYP2C19 | |
| SCHEMBL31069330 | 0.82 | CYP3A4 (0.36) | CYP3A4PTGDR2 | |
| SCHEMBL31069437 | 0.76 | CYP3A4 (0.44) | GRM2CYP3A4GNRHR | |
| SCHEMBL31069497 | 0.76 | GNRHR (0.47) | GRM2CYP3A4KDM4ECYP1A2CYP2C19 | |
| SCHEMBL31069426 | 0.74 | CYP3A4 (0.35) | CYP3A4KDM4EPTGDR2MAPT | |
| SCHEMBL31069365 | 0.73 | CYP3A4 (0.36) | CYP3A4PLK1PTGDR2 | |
| SCHEMBL31069325 | 0.72 | PARG (0.35) | — | |
| SCHEMBL10165151 | 0.71 | POLB (0.52) | CYP3A4KDM4ECYP1A2CYP2C19TP53 | |
| SCHEMBL31069394 | 0.71 | PTGDR2 (0.31) | CYP3A4PTGDR2 |
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-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | disclosed |