Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | G6PD | P11413 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8579118 | 0.92 | DAO (0.58) | DAOMAPTKDM4ENPC1G6PD | |
| SCHEMBL8581809 | 0.85 | DAO (0.48) | DAOLMNAMAPTKDM4ENPC1 | |
| SCHEMBL6093318 | 0.84 | ALDH1A1 (0.56) | DAOMAPTKDM4EMAPK1HPGD | |
| SCHEMBL8576806 | 0.80 | KMT2A (0.59) | DAOLMNAMAPTKDM4ENPC1 | |
| SCHEMBL8576798 | 0.78 | DAO (0.53) | DAOLMNAMAPTKDM4ENPC1 | |
| SCHEMBL8579776 | 0.75 | MAPT (0.49) | LMNAMAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL1947719 | 0.75 | KMT2A (0.59) | DAOLMNAMAPTKDM4ENPC1 | |
| SCHEMBL9412486 | 0.74 | ALDH1A1 (0.51) | DAOMAPTKDM4ENPC1G6PD | |
| SCHEMBL8581796 | 0.74 | DAO (0.55) | DAOLMNAKDM4EHPGDALDH1A1 | |
| SCHEMBL8576934 | 0.74 | L3MBTL1 (0.44) | DAOLMNAMAPTHPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |