Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 16/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.65 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6444545 | 0.88 | ADORA1 (0.61) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL6445033 | 0.85 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL6443076 | 0.84 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL3554077 | 0.82 | ADORA1 (0.78) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL6440616 | 0.81 | ADORA1 (0.73) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL6441217 | 0.80 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL6441971 | 0.80 | ADORA1 (0.61) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL3551560 | 0.79 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL6442437 | 0.78 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL6441330 | 0.78 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BKDM4EALDH1A1 |
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-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |