Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PNP | P00491 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | MGMT | P16455 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.37 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6343835 | 0.81 | HRH4 (0.38) | HRH3HRH4L3MBTL1PNPTSHR | |
| SCHEMBL17595223 | 0.77 | SLC29A1 (0.53) | TSHRADORA2AADORA1MPOALDH1A1 | |
| SCHEMBL6946585 | 0.77 | MPO (0.40) | HRH3HRH4PNPMGMTADORA2A | |
| SCHEMBL6944455 | 0.76 | HRH4 (0.44) | HRH3HRH4PNPMGMTMPO | |
| SCHEMBL6950876 | 0.74 | MPO (0.56) | TSHRMGMTMPOLMNAALDH1A1 | |
| SCHEMBL6945083 | 0.73 | PIN1 (0.44) | L3MBTL1MPOLMNA | |
| Ammonia Solution, Strong SCHEMBL17009431 | 0.73 | KDM4A (0.41) | PNPTSHRMGMTADORA2AADORA1 | |
| SCHEMBL12844134 | 0.72 | HEXA (0.37) | LMNAALDH1A1 | |
| SCHEMBL6948069 | 0.72 | MPO (0.47) | HRH3TSHRMGMTMPOLMNA | |
| SCHEMBL6948619 | 0.72 | PNP (0.41) | PNPADORA2AADORA1MPOTAAR1 |
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 |