Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | FPR1 | P21462 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.36 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | PNP | P00491 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL3938948 | 0.79 | HTT (0.48) | HTTKDM4ECYP2C9HSD17B10LRRK2 | |
| SCHEMBL3939778 | 0.77 | DPP4 (0.47) | HTTDPP4KDM4ECYP3A4CYP2C9 | |
| SCHEMBL6819044 | 0.75 | HTT (0.54) | HTTKDM4EHSD17B10IP6K1IP6K3 | |
| SCHEMBL4224597 | 0.75 | DPP4 (0.44) | HTTDPP4KDM4EADORA3ADORA2B | |
| SCHEMBL6822370 | 0.72 | HTT (0.51) | HTTHSD17B10IP6K1IP6K3IP6K2 | |
| SCHEMBL7119506 | 0.72 | ALDH1A1 (0.58) | HTTKDM4ECYP2C9HSD17B10ADORA3 | |
| SCHEMBL7118856 | 0.71 | HTT (0.43) | HTTDPP4KDM4ECYP2C9HSD17B10 | |
| SCHEMBL7115684 | 0.71 | HTT (0.47) | HTTKDM4ECYP2C9IP6K1IP6K3 | |
| SCHEMBL7119773 | 0.70 | HTT (0.46) | HTTKDM4ECYP3A4IP6K1IP6K3 | |
| SCHEMBL3946210 | 0.70 | HTT (0.41) | HTTDPP4KDM4ECYP2C9HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004065389-A1 | PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE | XENOVA LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |