Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.76 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | CMA1 | P23946 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TYMS | P04818 | 1/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.49 |
| ▸ | PNP | P00491 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1958423 | 0.86 | GAA (0.59) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL8581842 | 0.86 | KMT2A (0.70) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL9412479 | 0.84 | ALDH1A1 (0.72) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL8576806 | 0.84 | KMT2A (0.59) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL7679940 | 0.82 | ALDH1A1 (0.77) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL1032784 | 0.82 | HPGD (1.00) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL9412738 | 0.81 | ALDH1A1 (0.67) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL7088588 | 0.78 | ALDH1A1 (0.74) | MTNR1AMTNR1BALDH1A1MAPTKMT2A | |
| SCHEMBL4762572 | 0.78 | ALDH1A1 (0.63) | ALDH1A1MAPTKMT2AMEN1HPGD | |
| SCHEMBL6093318 | 0.77 | ALDH1A1 (0.56) | MTNR1AMTNR1BALDH1A1MAPTKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |
| CN-1043348-C | Asymmetrically substituted xanthines | BOEHRINGER INGELHEIM KG (DE) | 1999-05-12 | — | — | CN | disclosed |
| US-5719279-A | CHOLINOMIMETICS | BOEHRINGER INGELHEIM KG (DE) | 1998-02-17 | — | — | US | disclosed |
| EP-0654033-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |