Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PNP | P00491 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | MGMT | P16455 | 3/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | FLT1 | P17948 | 3/20 | 0.31 |
| ▸ | KDR | P35968 | 3/20 | 0.31 |
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 | 0.84 | PIN1 (0.44) | MPOCYP3A4SMN1; SMN2HTR6KDR | |
| SCHEMBL6944455 | 0.83 | HRH4 (0.44) | MPOHRH4HRH3CYP3A4PNP | |
| SCHEMBL10435362 | 0.82 | HRH4 (0.38) | HRH4HRH3CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL6941905 | 0.81 | ALDH1A1 (0.50) | MPOMAPTSMN1; SMN2HTR6 | |
| SCHEMBL6948619 | 0.80 | PNP (0.41) | MPOPNPCDK1ADORA2A | |
| SCHEMBL6944400 | 0.77 | HRH3 (0.42) | MPOHRH4HRH3PNPMGMT | |
| SCHEMBL6947940 | 0.77 | PIN1 (0.48) | MPOHRH4HTR6RAB9AADORA2A | |
| SCHEMBL6939911 | 0.77 | DHFR (0.47) | MPOCYP3A4MAPTMGMTCDK1 | |
| SCHEMBL6950768 | 0.76 | CYP17A1 (0.39) | MPOCYP3A4CYP17A1CYP11B1CYP11B2 | |
| Ammonia Solution, Strong SCHEMBL17009431 | 0.75 | KDM4A (0.41) | MPOSMN1; SMN2PNPMGMTADORA2A |
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 |