Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 5/20 | 0.56 |
| ▸ | PFKFB3 | Q16875 | 6/20 | 0.44 |
| ▸ | LDHA | P00338 | 3/20 | 0.43 |
| ▸ | LDHB | P07195 | 3/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | TPH1 | P17752 | 1/20 | 0.41 |
| ▸ | AGPAT2 | O15120 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22839471 | 1.00 | NUDT1 (0.56) | NUDT1PFKFB3LDHALDHBMAPK14 | |
| SCHEMBL15757433 | 1.00 | NUDT1 (0.56) | NUDT1PFKFB3LDHALDHBMAPK14 | |
| SCHEMBL15756909 | 0.87 | NUDT1 (0.56) | NUDT1MAPK14HSP90AA1HSP90AB1AGPAT2 | |
| SCHEMBL28043729 | 0.85 | NUDT1 (0.53) | NUDT1PFKFB3LDHALDHBMAPK14 | |
| SCHEMBL28043730 | 0.85 | NUDT1 (0.53) | NUDT1PFKFB3LDHALDHBMAPK14 | |
| SCHEMBL15757415 | 0.80 | NUDT1 (0.77) | NUDT1HSP90AA1HSP90AB1AGPAT2 | |
| SCHEMBL17315318 | 0.79 | HRH4 (0.55) | NUDT1MAPK14HSP90AA1HSP90AB1AGPAT2 | |
| SCHEMBL20878223 | 0.78 | NUDT1 (0.88) | NUDT1TPH1 | |
| SCHEMBL17560838 | 0.78 | NUDT1 (0.88) | NUDT1TPH1 | |
| SCHEMBL17560919 | 0.77 | NUDT1 (0.71) | NUDT1HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2015187089-A1 | MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS | THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) | 2015-12-10 | — | — | WO | disclosed |