Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.50 |
| ▸ | HRH2 | P25021 | 2/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | HEXA | P06865 | 1/20 | 0.49 |
| ▸ | HEXB | P07686 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28265800 | 0.81 | SMN1; SMN2 (0.46) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL4416122 | 0.79 | ADORA1 (0.59) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL31256308 | 0.76 | ADORA1 (0.52) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL28151079 | 0.73 | ADORA1 (0.52) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL6700778 | 0.72 | KMT2A (0.54) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL30412772 | 0.71 | ADORA1 (0.67) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL979446 | 0.71 | ADORA1 (0.67) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL1892740 | 0.71 | ADORA2A (0.59) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL11372127 | 0.71 | DHFR (0.73) | ADORA1ADORA2AKMT2AHRH3HRH2 | |
| SCHEMBL28957216 | 0.71 | LMNA (0.44) | KMT2ADHFRHEXAHEXBKDM4E |
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 |