Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708675 | 0.95 | KMT2A (0.45) | KMT2AALDH1A1MAPK1NPSR1LMNA | |
| SCHEMBL9708354 | 0.94 | KMT2A (0.47) | KMT2AALDH1A1MAPK1NPSR1ALOX15 | |
| SCHEMBL9708029 | 0.93 | ADORA3 (0.49) | KMT2AADORA3 | |
| SCHEMBL9708332 | 0.93 | PDE5A (0.46) | KMT2AADORA3AGTR1AGTR2 | |
| SCHEMBL9708002 | 0.93 | ADORA3 (0.49) | KMT2AADORA3 | |
| SCHEMBL9707804 | 0.92 | ADORA2A (0.46) | KMT2AMAPK1NPSR1TSHRTP53 | |
| SCHEMBL9707460 | 0.92 | KMT2A (0.43) | KMT2AALDH1A1MAPK1NPSR1MAPT | |
| SCHEMBL9708043 | 0.92 | PDE5A (0.47) | KMT2AMAPK1NPSR1POLBADORA3 | |
| SCHEMBL9708135 | 0.92 | KMT2A (0.43) | KMT2AMAPK1NPSR1MAPTTSHR | |
| SCHEMBL9708000 | 0.91 | KMT2A (0.41) | KMT2AALDH1A1MAPK1NPSR1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |