Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5026238 | 0.78 | ADORA2A (0.49) | KMT2ASMN1; SMN2LMNAHTTPOLB | |
| SCHEMBL5016102 | 0.76 | SMN1; SMN2 (0.49) | KMT2ASMN1; SMN2LMNAHTTPOLB | |
| SCHEMBL5016386 | 0.71 | TP53 (0.60) | KMT2ASMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL5016387 | 0.71 | TP53 (0.60) | KMT2ASMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL6038234 | 0.70 | ADORA2A (0.39) | LMNAALDH1A1ADORA2AHPGD | |
| SCHEMBL5022230 | 0.69 | ADORA2A (0.59) | KMT2AKDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL5022327 | 0.68 | ADORA2A (0.50) | ADORA2A | |
| SCHEMBL5016108 | 0.67 | ADORA2A (0.48) | KMT2ASMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL5016105 | 0.67 | ADORA2A (0.65) | KMT2ASMN1; SMN2KDM4EMAPTGAA | |
| SCHEMBL5016218 | 0.67 | ADORA2A (0.67) | KDM4EALDH1A1ADORA2ARAB9A |
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 |