Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | CNOT7 | Q9UIV1 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11041342 | 0.85 | TSHR (0.45) | HTTMAPK1LMNATSHRGALR3 | |
| SCHEMBL11044972 | 0.82 | ADORA2B (0.42) | HTTLMNAHSD17B10L3MBTL1MEN1 | |
| SCHEMBL5272641 | 0.75 | USP2 (0.51) | HTTMAPK1LMNATSHRGALR3 | |
| SCHEMBL11044975 | 0.69 | USP2 (0.41) | HTTMAPK1LMNASMN1; SMN2HSD17B10 | |
| SCHEMBL11033010 | 0.67 | ADORA2B (0.48) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL11498915 | 0.67 | TSHR (0.59) | MAPK1LMNATSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL13247924 | 0.66 | CYP1A2 (0.58) | HTTMAPK1LMNATSHRGALR3 | |
| SCHEMBL19407022 | 0.64 | TSHR (0.56) | HTTMAPK1LMNATSHRGALR3 | |
| SCHEMBL3115778 | 0.64 | CYP1A2 (0.52) | HTTMAPK1LMNATSHRGALR3 | |
| SCHEMBL11466640 | 0.64 | PDE4A (0.65) | LMNAMEN1KMT2ACNOT7ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0075850-B1 | PHARMACEUTICAL PREPARATIONS CONTAINING VICINAL DIHYDROXYALKYL XANTHINES, PROCESS FOR THE PREPARATION OF THE XANTHINES AND THE APPROPRIATE INTERMEDIATES THEREFOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-18 | — | — | EP | claimed |