Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL29018907 | 0.69 | CYP1A2 (0.57) | CYP1A2CYP2C9ALDH1A1LMNAMEN1 | |
| SCHEMBL7998162 | 0.68 | MKNK1 (0.46) | CYP1A2CYP2C9ALDH1A1GAALMNA | |
| SCHEMBL6743031 | 0.67 | CYP1A2 (0.43) | CYP1A2CYP2C9ALDH1A1GAALMNA | |
| SCHEMBL9001950 | 0.67 | ATM (0.46) | CYP1A2CYP2C9ALDH1A1GAALMNA | |
| SCHEMBL6742620 | 0.67 | CYP1A2 (0.54) | CYP1A2CYP2C9ALDH1A1GAALMNA | |
| SCHEMBL6746118 | 0.61 | CYP1A2 (0.41) | CYP1A2CYP2C9ALDH1A1GAALMNA | |
| SCHEMBL20125049 | 0.60 | CYP1A2 (1.00) | CYP1A2CYP2C9ALDH1A1GAALMNA | |
| SCHEMBL6742637 | 0.60 | CYP1A2 (0.40) | CYP1A2CYP2C9ALDH1A1GAALMNA | |
| SCHEMBL430605 | 0.60 | TNF (0.50) | CYP1A2CYP2C9ALDH1A1GAAKDM4E | |
| SCHEMBL28921245 | 0.60 | CYP1A2 (0.67) | CYP1A2CYP2C9ALDH1A1GAALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0632040-A1 | Antibacterial imidazole derivatives | Takeda Chemical Industries, Ltd. (JP) | 1995-01-04 | — | — | EP | claimed |
| WO-1996016656-A1 | CONDENSED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-06 | — | — | WO | disclosed |
| EP-0632040-A1 | Antibacterial imidazole derivatives | Takeda Chemical Industries, Ltd. (JP) | 1995-01-04 | — | — | EP | disclosed |