Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | VCP | P55072 | 11/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | GPR39 | O43194 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28151067 | 0.85 | HRH4 (0.41) | HRH4KCNH2HRH3VCPTLR8 | |
| SCHEMBL28151149 | 0.82 | HRH4 (0.64) | HRH4TLR8 | |
| SCHEMBL28151085 | 0.82 | HRH4 (0.38) | HRH4KCNH2HRH3VCPTLR8 | |
| SCHEMBL17315319 | 0.82 | HRH4 (0.68) | HRH4VCPTLR8 | |
| SCHEMBL28043772 | 0.81 | AURKA (0.54) | HRH4TLR8 | |
| SCHEMBL28043929 | 0.78 | NUDT1 (0.51) | HRH4HRH3TLR8 | |
| SCHEMBL28043930 | 0.78 | HRH4 (0.55) | HRH4TLR8 | |
| SCHEMBL28845266 | 0.77 | CYP2D6 (0.55) | HRH4TLR8 | |
| SCHEMBL28267183 | 0.77 | HRH4 (0.47) | HRH4TLR8 | |
| SCHEMBL28043722 | 0.77 | NUDT1 (0.48) | HRH4IDH1TLR8GPR39 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143206-B | Pyrimidine -2,4- diamine derivative for treating cancer | 托马斯·黑勒戴药物研究基金会 | 2019-01-15 | — | — | CN | disclosed |
| CN-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |
| CN-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |