Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 6/20 | 0.49 |
| ▸ | AGTR2 | P50052 | 6/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708176 | 0.97 | AGTR1 (0.51) | ALDH1A1NPSR1USP2TSHRXBP1 | |
| SCHEMBL9708706 | 0.94 | ALOX15 (0.50) | ALDH1A1NPSR1USP2TSHRXBP1 | |
| SCHEMBL9708070 | 0.94 | AGTR1 (0.48) | AGTR1AGTR2 | |
| SCHEMBL9707808 | 0.94 | AGTR1 (0.49) | AGTR1AGTR2 | |
| SCHEMBL9708157 | 0.94 | AGTR1 (0.48) | AGTR1AGTR2 | |
| SCHEMBL9707744 | 0.94 | AGTR1 (0.48) | AGTR1AGTR2 | |
| SCHEMBL9708754 | 0.91 | AGTR1 (0.48) | ALDH1A1NPSR1USP2TSHRXBP1 | |
| SCHEMBL9708532 | 0.91 | TRPC4 (0.46) | ALDH1A1NPSR1USP2AGTR1AGTR2 | |
| SCHEMBL9707561 | 0.91 | AGTR1 (0.46) | AGTR1AGTR2 | |
| SCHEMBL9707950 | 0.91 | AGTR1 (0.48) | ALDH1A1NPSR1USP2TSHRXBP1 |
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 2 patents. 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 | claimed |
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |