Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7078191 | 0.84 | NT5E (0.34) | ADORA2ANT5EHPGDHSD17B10 | |
| SCHEMBL6942099 | 0.77 | MKNK2 (0.40) | ADORA2AHDAC6ALDH1A1ADORA1MKNK2 | |
| SCHEMBL29139810 | 0.76 | FGFR1 (0.47) | ADORA2AROCK1ALDH1A1KDM4EHTT | |
| SCHEMBL27745688 | 0.72 | PI4KA (0.52) | ROCK1HDAC6KDM4EHTTGRM4 | |
| SCHEMBL4978113 | 0.71 | XDH (0.48) | HDAC6ALDH1A1KDM4EHTTRAB9A | |
| Phenol SCHEMBL28142595 | 0.71 | FGFR1 (0.49) | ADORA2ANT5EHTTADORA1 | |
| SCHEMBL30219641 | 0.70 | DHFR (0.49) | HDAC6NT5EALDH1A1HTTHSP90AA1 | |
| SCHEMBL28301793 | 0.70 | DHFR (0.49) | HDAC6NT5EALDH1A1HTTHSP90AA1 | |
| SCHEMBL28986222 | 0.70 | NT5E (0.40) | ROCK1HDAC6NT5EALDH1A1KDM4E | |
| SCHEMBL29602591 | 0.69 | HTT (0.55) | ROCK1HTTMKNK1MKNK2TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101325956-B | Compounds for the treatment of auricular fibrillation | PROYECTO BIOMEDICINA CIMA SL | 2012-02-29 | — | — | CN | disclosed |
| CN-101325956-A | Compounds for the treatment of auricular fibrillation | PROYECTO BIOMEDICINA CIMA SL (ES) | 2008-12-17 | — | — | CN | disclosed |
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |