Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 7/20 | 0.36 |
| ▸ | HTR1D | P28221 | 3/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9523896 | 0.94 | KDM4E (0.43) | KDM4EALDH1A1HPGDHTR1BHTR1D | |
| Iodide SCHEMBL9525273 | 0.92 | KDM4E (0.36) | KDM4EALDH1A1HPGDHTR1BHTR1D | |
| Iodide SCHEMBL9526189 | 0.88 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL9525232 | 0.87 | KDM4E (0.44) | KDM4EALDH1A1HPGDHTR1BHTR1D | |
| Iodide SCHEMBL9525405 | 0.87 | MEN1 (0.37) | KMT2AMEN1 | |
| Iodide SCHEMBL9528125 | 0.85 | KDM4E (0.42) | KDM4EALDH1A1HPGDHTR1BHTR1D | |
| Hydrochloric Acid SCHEMBL9525167 | 0.85 | KDM4E (0.42) | KDM4EALDH1A1HPGDHTR1BHTR1D | |
| Iodide SCHEMBL9524406 | 0.85 | KDM4E (0.38) | KDM4EALDH1A1HPGDHTR1BHTR1D | |
| Iodide SCHEMBL9523929 | 0.85 | KDM4E (0.41) | KDM4EALDH1A1HPGDHTR1BHTR1D | |
| Hydrochloric Acid SCHEMBL9525954 | 0.85 | KDM4E (0.41) | KDM4EALDH1A1HPGDHTR1BHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |