Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 10/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28265753 | 0.94 | TLR8 (0.46) | HRH4PTGS2TLR8SMN1; SMN2ALDH1A1 | |
| SCHEMBL28265781 | 0.94 | ALDH1A1 (0.46) | HRH4PTGS2TLR8SMN1; SMN2ALDH1A1 | |
| SCHEMBL28152287 | 0.89 | ALDH1A1 (0.46) | HRH4SMN1; SMN2ALDH1A1BRAF | |
| SCHEMBL28267163 | 0.86 | PTGDR (0.48) | HRH4PTGS2TLR8SMN1; SMN2ALDH1A1 | |
| SCHEMBL28265742 | 0.85 | TLR8 (0.46) | HRH4TLR8ALDH1A1 | |
| SCHEMBL28265690 | 0.84 | MAPT (0.45) | HRH4TLR8ALDH1A1BRAF | |
| SCHEMBL28267598 | 0.84 | TLR8 (0.55) | HRH4TLR8SMN1; SMN2ALDH1A1 | |
| SCHEMBL28265648 | 0.83 | HRH4 (0.46) | HRH4TLR8SMN1; SMN2ALDH1A1BRAF | |
| SCHEMBL28043938 | 0.83 | PTGS2 (0.54) | PTGS2 | |
| SCHEMBL15757142 | 0.81 | NUDT1 (0.54) | HRH4PTGS2TLR8SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |