Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAE1 | Q13564 | 1/20 | 0.66 |
| ▸ | UBA3 | Q8TBC4 | 1/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 14/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.48 |
| ▸ | PI4KA | P42356 | 1/20 | 0.48 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.48 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.48 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2881503 | 0.90 | NAE1 (0.66) | NAE1UBA3ADORA3ADORA1ADORA2A | |
| SCHEMBL15007809 | 0.83 | NAE1 (0.59) | NAE1UBA3ADORA3ADORA1ADORA2A | |
| SCHEMBL782859 | 0.80 | NAE1 (1.00) | NAE1UBA3ADORA3ADORA1ADORA2A | |
| SCHEMBL15007419 | 0.77 | ADORA3 (0.68) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL782836 | 0.72 | NAE1 (0.57) | NAE1UBA3ADORA3ADORA1ADORA2A | |
| SCHEMBL805388 | 0.72 | NAE1 (0.73) | NAE1UBA3ADORA3ADORA1ADORA2A | |
| SCHEMBL8655787 | 0.69 | ADORA3 (0.68) | NAE1UBA3ADORA3ADORA1ADORA2A | |
| SCHEMBL15007420 | 0.67 | ADORA3 (0.69) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL4064829 | 0.66 | ADORA2A (1.00) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL783764 | 0.66 | ADORA3 (0.68) | ADORA3ADORA1ADORA2AADORA2BPI4KA |
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-2049491-B1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARM INC (US) | 2010-10-20 | — | — | EP | disclosed |