Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 5/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707449 | 0.94 | KMT2A (0.45) | TSHRTP53AGTR1AGTR2ALDH1A1 | |
| SCHEMBL9707900 | 0.94 | AGTR1 (0.43) | TSHRTP53AGTR1AGTR2MEN1 | |
| SCHEMBL9707642 | 0.92 | AGTR1 (0.43) | AGTR1AGTR2KMT2APPARG | |
| SCHEMBL9707542 | 0.92 | AGTR1 (0.43) | AGTR1AGTR2KMT2APPARG | |
| SCHEMBL9708279 | 0.92 | AGTR1 (0.45) | TSHRTP53AGTR1AGTR2ALDH1A1 | |
| SCHEMBL9708964 | 0.92 | AGTR1 (0.40) | TSHRTP53AGTR1AGTR2ALDH1A1 | |
| SCHEMBL9708108 | 0.91 | AGTR1 (0.44) | TSHRAGTR1AGTR2MEN1CYP2C9 | |
| SCHEMBL9708693 | 0.91 | AGTR1 (0.41) | TSHRAGTR1AGTR2ALDH1A1GAA | |
| SCHEMBL9707550 | 0.91 | AGTR1 (0.40) | TSHRAGTR1AGTR2ALDH1A1GAA | |
| SCHEMBL9707639 | 0.91 | AGTR1 (0.40) | TSHRTP53AGTR1AGTR2ALDH1A1 |
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 |