Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708471 | 0.98 | KMT2A (0.43) | KMT2AAGTR1PPARGAGTR2ALDH1A1 | |
| SCHEMBL9708112 | 0.94 | KMT2A (0.42) | KMT2AAGTR1PPARGAGTR2ADORA3 | |
| SCHEMBL9707887 | 0.93 | PPARG (0.41) | KMT2AAGTR1PPARGAGTR2ADORA3 | |
| SCHEMBL9708440 | 0.92 | AGTR1 (0.38) | KMT2AAGTR1PPARGAGTR2ALDH1A1 | |
| SCHEMBL9708556 | 0.92 | ADORA3 (0.42) | AGTR1AGTR2NPSR1ADORA3ADORA1 | |
| SCHEMBL9708179 | 0.91 | KMT2A (0.42) | KMT2AAGTR1PPARGAGTR2ADORA3 | |
| SCHEMBL9707802 | 0.91 | KMT2A (0.42) | KMT2AAGTR1PPARGAGTR2NPSR1 | |
| SCHEMBL9707754 | 0.91 | KMT2A (0.42) | KMT2AAGTR1PPARGAGTR2ALDH1A1 | |
| SCHEMBL9708195 | 0.91 | PPARG (0.39) | KMT2AAGTR1PPARGAGTR2ADORA3 | |
| SCHEMBL9707556 | 0.91 | AGTR1 (0.40) | KMT2AAGTR1PPARGAGTR2ALDH1A1 |
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 |