Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 6/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8581812 | 0.94 | KMT2A (0.67) | KMT2AALDH1A1KDM4EPKMMAPK1 | |
| SCHEMBL9168640 | 0.89 | KMT2A (0.74) | KMT2AALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL6094064 | 0.86 | KMT2A (0.70) | KMT2AALDH1A1KDM4EPKMMAPK1 | |
| SCHEMBL8576721 | 0.86 | KMT2A (0.64) | KMT2AALDH1A1KDM4EMAPK1GAA | |
| SCHEMBL8606081 | 0.86 | KMT2A (0.66) | KMT2AALDH1A1KDM4EMAPK1GAA | |
| SCHEMBL27523019 | 0.85 | KMT2A (0.63) | KMT2AALDH1A1KDM4EPKMMAPK1 | |
| SCHEMBL8579681 | 0.84 | KMT2A (0.62) | KMT2AALDH1A1KDM4EMAPK1GAA | |
| SCHEMBL9707780 | 0.84 | KMT2A (0.53) | KMT2AALDH1A1KDM4EPKMMAPK1 | |
| SCHEMBL8581793 | 0.83 | KMT2A (0.66) | KMT2AALDH1A1MAPK1SMN1; SMN2MEN1 | |
| SCHEMBL8577867 | 0.82 | ADORA3 (0.57) | KMT2ANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |