Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.43 |
| ▸ | AGPAT2 | O15120 | 7/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL28043805 | 0.92 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NUDT1HRH4AGPAT2 | |
| SCHEMBL15757477 | 0.89 | NUDT1 (0.60) | ALDH1A1SMN1; SMN2NUDT1HRH4AGPAT2 | |
| SCHEMBL15756895 | 0.87 | NUDT1 (0.49) | ALDH1A1SMN1; SMN2NUDT1HRH4AGPAT2 | |
| SCHEMBL28043953 | 0.86 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HRH4AGPAT2ACKR3 | |
| SCHEMBL17315288 | 0.84 | HTR2B (0.54) | ALDH1A1SMN1; SMN2HRH4AGPAT2ACKR3 | |
| SCHEMBL15757697 | 0.83 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NUDT1HRH4AGPAT2 | |
| SCHEMBL15757676 | 0.82 | NUDT1 (0.59) | ALDH1A1SMN1; SMN2NUDT1HRH4AGPAT2 | |
| SCHEMBL17315523 | 0.82 | NUDT1 (0.49) | ALDH1A1SMN1; SMN2NUDT1HRH4AGPAT2 | |
| SCHEMBL15757319 | 0.82 | AGPAT2 (0.53) | ALDH1A1SMN1; SMN2NUDT1HRH4AGPAT2 | |
| SCHEMBL17315254 | 0.81 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HRH4AGPAT2ACKR3 |
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 | claimed |
| 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-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |