Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946759 | 0.97 | CYP2D6 (0.48) | MPONUDT1CYP2D6CDK1CYP1A2 | |
| SCHEMBL6950876 | 0.92 | MPO (0.56) | MPONUDT1CYP2D6CDK1CYP1A2 | |
| SCHEMBL6948968 | 0.80 | DHFR (0.46) | MPOCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL13742811 | 0.79 | CYP2D6 (0.57) | MPONUDT1CYP2D6CDK1CYP1A2 | |
| SCHEMBL822382 | 0.77 | NUDT1 (0.67) | NUDT1CYP2D6CDK1CYP1A2CYP3A4 | |
| SCHEMBL13742763 | 0.77 | CYP1A2 (0.64) | MPONUDT1CYP2D6CDK1CYP1A2 | |
| SCHEMBL6944455 | 0.76 | HRH4 (0.44) | MPOCYP2D6CYP1A2CYP3A4DHFR | |
| SCHEMBL6946585 | 0.74 | MPO (0.40) | MPOCDK1CYP3A4HRH3MGMT | |
| 6-O-Benzylguanine SCHEMBL600698 | 0.73 | MGMT (0.63) | MPONUDT1CYP2D6CDK1CYP1A2 | |
| Hydrochloric Acid SCHEMBL5731125 | 0.73 | TLR7 (0.35) | DHFRTLR7 |
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 |