Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.63 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.44 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3269381 | 0.82 | ADORA2A (0.48) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL3267686 | 0.82 | ADORA2A (0.48) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL14002417 | 0.82 | ADORA2A (0.46) | ADORA2AADORA1CDK5CDK5R1DHFR | |
| SCHEMBL14002317 | 0.82 | ADORA2A (0.46) | ADORA2AADORA1CDK5CDK5R1DHFR | |
| Heptylformamide SCHEMBL3268995 | 0.82 | ADORA2A (0.47) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL3267731 | 0.82 | ADORA2A (0.47) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL14002339 | 0.80 | ADORA2A (0.50) | ADORA2AADORA1CDK5CDK5R1KDM4E | |
| SCHEMBL14002327 | 0.79 | MEN1 (0.54) | ADORA2AADORA1CDK5CDK5R1KDM4E | |
| SCHEMBL14002309 | 0.79 | ADORA2A (0.49) | ADORA2AADORA1CDK5CDK5R1KDM4E | |
| SCHEMBL14002357 | 0.79 | ADORA2A (0.45) | ADORA2AADORA1CDK5CDK5R1KDM4E |
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 6 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 |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | 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 |