Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.59 |
| ▸ | BCHE | P06276 | 3/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL26632990 | 0.91 | ACHE (0.52) | ACHEBCHEADORA2AHTTADRA2A | |
| SCHEMBL11924393 | 0.91 | ACHE (0.52) | ACHEBCHEADORA2AHTTADRA2A | |
| SCHEMBL11924385 | 0.89 | TSHR (0.56) | ACHEBCHEHTTHSD17B10KDM4E | |
| SCHEMBL11924388 | 0.88 | ADORA1 (0.54) | ACHEBCHEADORA2AHTTHSD17B10 | |
| SCHEMBL11924431 | 0.85 | ALDH1A1 (0.55) | ACHEBCHEADORA2AHTTHSD17B10 | |
| SCHEMBL14705928 | 0.82 | ALDH1A1 (0.50) | ACHEBCHEADORA2AHTTKDM4E | |
| SCHEMBL4034221 | 0.82 | ALDH1A1 (0.59) | ACHEBCHEADORA2AHTTHSD17B10 | |
| SCHEMBL13849106 | 0.81 | RXFP1 (0.52) | ACHEBCHEHTTHSD17B10KDM4E | |
| Trifluoroacetic Acid SCHEMBL5483391 | 0.81 | PDE4A (0.48) | ACHEBCHEADORA2AHTTHSD17B10 | |
| SCHEMBL11924410 | 0.80 | ACHE (0.56) | ACHEBCHEADORA2AHTTADRA2A |
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-1373265-B1 | SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2009-05-06 | — | — | EP | claimed |
| EP-1373265-B1 | SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2009-05-06 | — | — | EP | disclosed |