Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PIP4K2A | P48426 | 4/20 | 0.40 |
| ▸ | PIP4K2B | P78356 | 4/20 | 0.40 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.38 |
| ▸ | CDK9 | P50750 | 6/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4371518 | 0.95 | ADORA2A (0.45) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4373522 | 0.94 | PIP4K2C (0.46) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4382541 | 0.94 | PIP4K2C (0.40) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4382316 | 0.92 | PIP4K2C (0.40) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4376893 | 0.90 | CYP1A2 (0.39) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4382347 | 0.90 | PIP4K2C (0.40) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4379223 | 0.89 | PIP4K2C (0.42) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4376878 | 0.89 | PIP4K2C (0.49) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL4384207 | 0.88 | CYP1A2 (0.38) | ADORA2APIP4K2CLMNACYP1A2CYP2D6 | |
| SCHEMBL28523222 | 0.88 | PIP4K2C (0.44) | PIP4K2CLMNACYP1A2CYP2D6PIP4K2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1763526-B1 | 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS | BAYER SCHERING PHARMA AG (DE) | 2009-06-24 | — | — | EP | claimed |
| CN-112472699-A | Combination methods for improving the therapeutic benefit of bisantrene and derivatives | 种族肿瘤学公司 | 2021-03-12 | — | — | CN | disclosed |