Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | PDE1A | P54750 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28506984 | 0.82 | DHFR (0.46) | ADORA2AADORA1ALDH1A1LRRK2SMN1; SMN2 | |
| SCHEMBL3425059 | 0.82 | ADORA2A (0.56) | ADORA2AADORA1ALDH1A1HSP90AA1DHFR | |
| SCHEMBL28096992 | 0.80 | ADORA2A (0.51) | ADORA2AADORA1ALDH1A1LRRK2HSP90AA1 | |
| SCHEMBL3366260 | 0.78 | MAP3K14 (0.50) | ADORA2AADORA1ALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL4335673 | 0.78 | DHFR (0.56) | ADORA2AADORA1ALDH1A1LRRK2HSP90AA1 | |
| SCHEMBL6133952 | 0.76 | LRRK2 (0.50) | ADORA2AADORA1ALDH1A1LRRK2HSP90AA1 | |
| SCHEMBL28396596 | 0.76 | LRRK2 (0.61) | ADORA2AADORA1ALDH1A1LRRK2GAA | |
| SCHEMBL22842681 | 0.75 | ADORA1 (0.44) | ADORA2AADORA1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL27786993 | 0.75 | ALDH1A1 (0.47) | ADORA2AADORA1ALDH1A1LRRK2HSP90AA1 | |
| SCHEMBL27953457 | 0.75 | ALDH1A1 (0.49) | ADORA2AALDH1A1HSP90AA1GAAHPGD |
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-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |