Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6038190 | 0.84 | ADORA2A (0.43) | KDM4EKMT2ATDP1MAPTPOLB | |
| SCHEMBL5017709 | 0.78 | ADORA2A (0.41) | KDM4EKMT2AMAPTALDH1A1HPGD | |
| SCHEMBL6038277 | 0.75 | ADORA2A (0.46) | KDM4EKMT2ATDP1MAPTPOLB | |
| SCHEMBL5016178 | 0.75 | ADORA2A (0.64) | KDM4EKMT2AMAPTPOLBMEN1 | |
| SCHEMBL6038215 | 0.73 | ADORA2A (0.43) | KMT2AMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL6038237 | 0.67 | ADORA2A (0.38) | KDM4EALDH1A1HPGDADORA3SMN1; SMN2 | |
| SCHEMBL5613051 | 0.65 | ADORA2A (0.53) | KDM4EKMT2AMAPTPOLBMEN1 | |
| SCHEMBL6038192 | 0.65 | MAPT (0.44) | KDM4EKMT2AMAPTALDH1A1HPGD | |
| SCHEMBL27661822 | 0.62 | ADORA2A (0.55) | KDM4ETDP1MAPTPOLBALDH1A1 | |
| SCHEMBL4697611 | 0.62 | ADORA2B (0.56) | KDM4EKMT2ATDP1MAPTPOLB |
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 |