Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300077 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| SCHEMBL14409559 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2D6L3MBTL1TDP1HRH3 | |
| SCHEMBL2127950 | 0.84 | HRH3 (0.55) | CYP3A4CYP2D6L3MBTL1SIGMAR1TDP1 | |
| SCHEMBL7672095 | 0.83 | SIGMAR1 (0.53) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| SCHEMBL6672936 | 0.83 | CYP1A2 (0.56) | CYP3A4L3MBTL1SIGMAR1TDP1HRH3 | |
| SCHEMBL5752131 | 0.81 | SIGMAR1 (0.53) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| SCHEMBL6671580 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP2D6L3MBTL1TSHRKDM4E | |
| SCHEMBL5737010 | 0.78 | CYP3A4 (0.57) | CYP3A4CYP2D6L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL15329158 | 0.78 | CYP3A4 (1.00) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| SCHEMBL1652789 | 0.76 | CYP3A4 (0.39) | CYP3A4CYP2D6ALDH1A1TSHRCA1 |
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 4 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 |
| US-5786371-A | INHIBIT AGGREGATION OF BLOOD PLATELETS | BOEHRINGER MANNHEIM GMBH (DE) | 1998-07-28 | — | — | US | 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 |