Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708557 | 0.94 | DCTPP1 (0.43) | DCTPP1KDM4EALDH1A1PKMADORA3 | |
| SCHEMBL9708509 | 0.91 | ADORA3 (0.40) | ADORA3AGTR1AGTR2 | |
| SCHEMBL9708369 | 0.91 | AGTR1 (0.39) | MEN1KMT2AAGTR1AGTR2 | |
| SCHEMBL9708117 | 0.90 | DCTPP1 (0.43) | DCTPP1KDM4EALDH1A1PKMADORA3 | |
| SCHEMBL9708900 | 0.90 | USP1 (0.39) | DCTPP1KDM4EALDH1A1PKMADORA3 | |
| SCHEMBL9707578 | 0.90 | DCTPP1 (0.41) | DCTPP1KDM4EALDH1A1PKMADORA3 | |
| SCHEMBL9707722 | 0.90 | AGTR1 (0.39) | ALDH1A1ADORA3AGTR1AGTR2 | |
| SCHEMBL9708091 | 0.89 | AGTR1 (0.41) | AGTR1AGTR2 | |
| SCHEMBL9708292 | 0.89 | ADORA3 (0.42) | DCTPP1ADORA3 | |
| SCHEMBL9707598 | 0.89 | DCTPP1 (0.42) | DCTPP1KDM4EALDH1A1PKMADORA3 |
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 |