Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25944770 | 0.77 | PDE4B (0.34) | KDM4EALDH1A1KMT2ATDP1MEN1 | |
| SCHEMBL25310417 | 0.66 | TUBB4A (0.43) | KDM4EALDH1A1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL25321658 | 0.64 | MEN1 (0.33) | KMT2AMEN1CYP2C9CYP2C19P2RY12 | |
| SCHEMBL31376398 | 0.63 | GABRP (0.37) | KDM4EALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL25318477 | 0.63 | MEN1 (0.37) | KDM4EALDH1A1KMT2AMEN1MAPK1 | |
| SCHEMBL31361171 | 0.61 | — | — | |
| SCHEMBL29268363 | 0.61 | MAPT (0.60) | ALDH1A1KMT2AMEN1LMNAHPGD | |
| SCHEMBL25315898 | 0.59 | MEN1 (0.34) | KDM4EALDH1A1KMT2AMEN1MAPK1 | |
| SCHEMBL25867032 | 0.59 | MEN1 (0.36) | KDM4EALDH1A1KMT2AMEN1CYP2C9 | |
| SCHEMBL31416774 | 0.59 | ALDH1A1 (0.32) | KDM4EALDH1A1KMT2AMEN1MAPK1 |
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 |