Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708102 | 0.94 | TSHR (0.44) | ALDH1A1NPSR1MAPK1POLBBLM | |
| SCHEMBL9707460 | 0.91 | KMT2A (0.43) | ALDH1A1NPSR1MAPK1POLBBLM | |
| SCHEMBL9708064 | 0.90 | DCTPP1 (0.43) | NPSR1MAPK1POLBBLMCTDSP1 | |
| SCHEMBL9707644 | 0.90 | KMT2A (0.41) | ALDH1A1NPSR1MAPK1POLBBLM | |
| SCHEMBL9707874 | 0.89 | TRPC4 (0.43) | ALDH1A1KDM4ENPSR1MAPK1POLB | |
| SCHEMBL9707804 | 0.89 | ADORA2A (0.46) | NPSR1MAPK1POLBBLMCTDSP1 | |
| SCHEMBL9708135 | 0.88 | KMT2A (0.43) | NPSR1MAPK1POLBBLMCTDSP1 | |
| SCHEMBL9707400 | 0.88 | AGTR1 (0.42) | NPSR1MAPK1POLBBLMCTDSP1 | |
| SCHEMBL9708212 | 0.88 | KMT2A (0.46) | ALDH1A1NPSR1MAPK1POLBBLM | |
| SCHEMBL9708165 | 0.88 | ADORA3 (0.43) | NPSR1MAPK1POLBBLMCTDSP1 |
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 |