Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MYC | P01106 | 5/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAX | P61244 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4697611 | 0.78 | ADORA2B (0.56) | ADORA2AADORA1NPC1TSHRRAB9A | |
| SCHEMBL5017830 | 0.77 | SMN1; SMN2 (0.55) | ADORA2AADORA1NPC1TSHRRAB9A | |
| SCHEMBL5017647 | 0.76 | SMN1; SMN2 (0.54) | ADORA2AADORA1NPC1TSHRRAB9A | |
| SCHEMBL6038190 | 0.76 | ADORA2A (0.43) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL6038204 | 0.75 | KDM4E (0.38) | ADORA2AADORA1TSHRSMN1; SMN2MYC | |
| SCHEMBL5613051 | 0.74 | ADORA2A (0.53) | ADORA2AADORA1MYCADORA3ADORA2B | |
| SCHEMBL5016163 | 0.73 | SMN1; SMN2 (0.54) | ADORA2AADORA1NPC1TSHRRAB9A | |
| SCHEMBL5022716 | 0.73 | ADORA3 (0.78) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5022980 | 0.65 | ALDH1A1 (0.59) | ADORA2AADORA1NPC1TSHRRAB9A | |
| SCHEMBL16810363 | 0.65 | MYC (0.82) | ADORA2AADORA1MYCADORA3ADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697351-A1 | 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | Almirall Prodesfarma AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058883-A1 | 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2005-06-30 | — | — | WO | disclosed |