Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708556 | 0.95 | ADORA3 (0.42) | MAPTNPSR1CRHBPCRHR2MCOLN3 | |
| SCHEMBL9708609 | 0.94 | POLB (0.44) | MAPTNPSR1CRHBPCRHR2MCOLN3 | |
| SCHEMBL9707843 | 0.93 | ADORA1 (0.42) | MAPTNPSR1CRHBPCRHR2MCOLN3 | |
| SCHEMBL9707502 | 0.92 | ADORA1 (0.42) | MAPTNPSR1CRHBPCRHR2MCOLN3 | |
| SCHEMBL9707601 | 0.92 | ADORA3 (0.47) | AGTR1AGTR2 | |
| SCHEMBL9708001 | 0.92 | ADORA3 (0.47) | AGTR1AGTR2 | |
| SCHEMBL9708262 | 0.92 | HPGD (0.42) | HPGDMAPTNPSR1CRHBPCRHR2 | |
| SCHEMBL9707814 | 0.92 | ADORA3 (0.42) | HPGDLMNASMN1; SMN2AGTR1AGTR2 | |
| SCHEMBL9707755 | 0.91 | MAPT (0.38) | MAPTNPSR1CRHBPCRHR2MCOLN3 | |
| SCHEMBL9708826 | 0.91 | HPGD (0.41) | HPGD |
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 |