Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300030 | 0.85 | KDM4E (0.45) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8300676 | 0.82 | KDM4E (0.42) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8303583 | 0.79 | KDM4E (0.40) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8300507 | 0.79 | KDM4E (0.43) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8306140 | 0.78 | KDM4E (0.39) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8304879 | 0.78 | KDM4E (0.42) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8617208 | 0.78 | KDM4E (0.40) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL14409559 | 0.76 | CYP3A4 (0.46) | DRD2 | |
| SCHEMBL8299936 | 0.76 | KDM4E (0.41) | TRPV6KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8302166 | 0.76 | ITGB3 (0.39) | ITGB3ITGA2BKDM1A |
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-0808306-B1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | ROCHE DIAGNOSTICS GMBH (DE) | 1999-08-04 | — | — | EP | disclosed |
| EP-0808306-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024586-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-08-15 | — | — | WO | disclosed |