Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | RORB | Q92753 | 2/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13616808 | 0.79 | ALDH1A1 (0.46) | MAP4K4ADORA2AADORA1DPP4LIMK1 | |
| SCHEMBL12631776 | 0.79 | HSD17B1 (0.49) | MAP4K4ADORA1LIMK1 | |
| SCHEMBL16067424 | 0.79 | KMT2A (0.42) | IKBKERORBCYP19A1 | |
| SCHEMBL13616783 | 0.77 | KDM4E (0.53) | MAP4K4ADORA2AADORA1IKBKELIMK1 | |
| SCHEMBL13616945 | 0.76 | ADORA2A (0.48) | ADORA2AADORA1RORB | |
| SCHEMBL13616949 | 0.75 | MAP4K4 (0.44) | MAP4K4DPP4TDO2 | |
| SCHEMBL985716 | 0.74 | KDM4E (0.69) | RORB | |
| SCHEMBL15189691 | 0.74 | RORB (0.44) | RORB | |
| SCHEMBL27824195 | 0.73 | NPC1 (0.45) | RORB | |
| SCHEMBL7462286 | 0.71 | ALDH1A1 (0.42) | DHFRADORA2AADORA1IKBKEJAK2 |
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-2119716-A1 | AZA-BRIDGED-RING COMPOUND | Astellas Pharma Inc. (JP) | 2009-11-18 | — | — | EP | disclosed |