Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 5/20 | 0.35 |
| ▸ | IP6K3 | Q96PC2 | 3/20 | 0.35 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.32 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL25425906 | 0.83 | AR (0.37) | ALDH1A1HPGDKDM4EMAPTAPEX1 | |
| SCHEMBL31150453 | 0.83 | AR (0.37) | ALDH1A1HPGDKDM4EMAPTAPEX1 | |
| SCHEMBL1673469 | 0.79 | NUDT1 (0.46) | IP6K1CHRNB2CHRNA4 | |
| SCHEMBL1444384 | 0.77 | QPCT (0.42) | ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL1444563 | 0.77 | NR3C2 (0.49) | — | |
| SCHEMBL1445112 | 0.76 | SLC6A4 (0.46) | — | |
| SCHEMBL31150480 | 0.75 | SYK (0.42) | ALDH1A1HPGDKDM4EMAPTPIK3CA | |
| SCHEMBL25428296 | 0.75 | SYK (0.42) | ALDH1A1HPGDKDM4EMAPTPIK3CA | |
| SCHEMBL1445163 | 0.74 | DYRK1A (0.43) | ALDH1A1KDM4EHSD11B1 | |
| SCHEMBL1444272 | 0.74 | GABRP (0.40) | — |
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-2023139085-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |