Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945083 | 0.78 | PIN1 (0.44) | KDRCYP3A4CYP2D6EGFRMPO | |
| SCHEMBL2598740 | 0.76 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2ADORA2AADORA1 | |
| SCHEMBL6947940 | 0.76 | PIN1 (0.48) | ADORA2AADORA1MPOLTA4H | |
| SCHEMBL6939911 | 0.76 | DHFR (0.47) | ADORA2AADORA1ADORA3CYP3A4CYP2D6 | |
| SCHEMBL6946585 | 0.76 | MPO (0.40) | CYP17A1CYP11B1CYP11B2ADORA2AKDR | |
| SCHEMBL6941905 | 0.74 | ALDH1A1 (0.50) | CYP2D6MPOLTA4H | |
| SCHEMBL6948185 | 0.74 | ADORA2A (0.40) | ADORA2AADORA1PIK3CAMTORAHR | |
| SCHEMBL6948619 | 0.74 | PNP (0.41) | ADORA2AADORA1ADORA3ADORA2BMPO | |
| SCHEMBL7077172 | 0.73 | PIN1 (0.52) | KDREGFRMPOLTA4H | |
| SCHEMBL6944455 | 0.72 | HRH4 (0.44) | CYP11B1CYP11B2CYP3A4CYP2D6MPO |
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-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 |