Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.54 |
| ▸ | GPR39 | O43194 | 1/20 | 0.48 |
| ▸ | GHSR | Q92847 | 8/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28152251 | 0.91 | CA1 (0.55) | PTGS2 | |
| SCHEMBL28267163 | 0.89 | PTGDR (0.48) | PTGS2GHSR | |
| SCHEMBL28267602 | 0.83 | HRH4 (0.47) | PTGS2 | |
| SCHEMBL28265753 | 0.81 | TLR8 (0.46) | PTGS2 | |
| SCHEMBL28265781 | 0.81 | ALDH1A1 (0.46) | PTGS2 | |
| SCHEMBL28151194 | 0.81 | NPC1 (0.49) | — | |
| SCHEMBL15757513 | 0.80 | NUDT1 (0.57) | PTGS2GPR39GHSR | |
| SCHEMBL28151132 | 0.80 | CA1 (0.56) | — | |
| SCHEMBL28152280 | 0.78 | HRH4 (0.49) | PTGS2 | |
| SCHEMBL15757402 | 0.76 | TLR8 (0.57) | PTGS2GHSR |
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 |