Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 15/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5022548 | 0.75 | ADORA2A (0.75) | CYP3A4ADORA2AADORA1KCNH2 | |
| SCHEMBL25216810 | 0.72 | TSHR (0.51) | CYP3A4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL6038542 | 0.72 | ADORA2A (0.46) | CYP3A4MEN1MAPTKMT2AADORA2A | |
| SCHEMBL5016126 | 0.71 | ADORA2A (0.51) | CYP3A4MEN1MAPTCYP2C9HPGD | |
| Hydrochloric Acid SCHEMBL4615620 | 0.71 | TSHR (0.50) | CYP3A4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL5016104 | 0.68 | ADORA2A (0.59) | CYP3A4ADORA2AADORA1 | |
| SCHEMBL31590865 | 0.64 | SLC2A1 (0.43) | KDM4EALDH1A1MAPTHPGDHTT | |
| SCHEMBL28251775 | 0.64 | TSHR (0.56) | CYP3A4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL4493891 | 0.63 | ACP3 (0.57) | CYP3A4MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL30637677 | 0.63 | KDM4E (0.42) | KDM4EMEN1ALDH1A1MAPTKMT2A |
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 |