Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TPH1 | P17752 | 1/20 | 0.41 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708525 | 0.90 | TPH2 (0.47) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL9708300 | 0.90 | MEN1 (0.42) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL9708175 | 0.89 | AGTR1 (0.48) | MEN1KMT2ANPSR1CYP3A4CYP2C9 | |
| SCHEMBL9708749 | 0.89 | KMT2A (0.44) | MEN1KMT2ACYP2C9CYP2C19AGTR1 | |
| SCHEMBL9708271 | 0.89 | AGTR1 (0.42) | KMT2AMAPTAGTR1AGTR2PPARG | |
| SCHEMBL9708313 | 0.88 | MEN1 (0.44) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL9707767 | 0.88 | MEN1 (0.50) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL9707482 | 0.88 | ALDH1A1 (0.53) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL9708417 | 0.88 | AGTR2 (0.53) | MEN1KMT2AAGTR1AGTR2PPARG | |
| SCHEMBL9707476 | 0.87 | TSHR (0.41) | MEN1KMT2AALDH1A1HPGDHTT |
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 |