Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | PNP | P00491 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MGMT | P16455 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10435291 | 0.84 | HRH4 (0.44) | HRH4HRH3PNPMPOKMT2A | |
| SCHEMBL6946585 | 0.83 | MPO (0.40) | HRH4HRH3PNPMPOMGMT | |
| SCHEMBL6939911 | 0.78 | DHFR (0.47) | MPOKMT2AMGMTCYP1A2CYP2D6 | |
| SCHEMBL6947940 | 0.78 | PIN1 (0.48) | HRH4MPO | |
| SCHEMBL6945083 | 0.77 | PIN1 (0.44) | MPOCYP1A2CYP2D6CYP3A4DHFR | |
| SCHEMBL6948619 | 0.76 | PNP (0.41) | PNPMPO | |
| SCHEMBL6944400 | 0.76 | HRH3 (0.42) | HRH4HRH3PNPMPOMGMT | |
| SCHEMBL6948069 | 0.76 | MPO (0.47) | HRH3MPOMGMTCYP1A2CYP2D6 | |
| SCHEMBL6946759 | 0.76 | CYP2D6 (0.48) | HRH3MPOCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL6950876 | 0.75 | MPO (0.56) | MPOMGMTCYP1A2CYP2D6CYP3A4 |
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 |