Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.50 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FPR3 | P25089 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17764590 | 0.88 | BCDIN3D (0.51) | BCDIN3DSYKGPR119KDM4EPKM | |
| SCHEMBL20154982 | 0.84 | ALDH1A1 (0.49) | GPR119CCNA2CDK2MAPT | |
| SCHEMBL20155228 | 0.84 | KDM4E (0.53) | BCDIN3DSYKGPR119KDM4EPKM | |
| SCHEMBL20155296 | 0.82 | IRAK1 (0.60) | BCDIN3DSYKGPR119 | |
| SCHEMBL2460443 | 0.82 | IDO1 (0.54) | BCDIN3DSYKGPR119KDM4EPKM | |
| SCHEMBL2460448 | 0.82 | IDO1 (0.54) | BCDIN3DSYKGPR119KDM4EPKM | |
| SCHEMBL2463486 | 0.82 | IDO1 (0.54) | BCDIN3DSYKGPR119KDM4EPKM | |
| SCHEMBL620235 | 0.82 | IDO1 (0.53) | BCDIN3DSYKGPR119KDM4EPKM | |
| SCHEMBL3779057 | 0.80 | KDM4E (0.53) | BCDIN3DSYKGPR119KDM4EPKM | |
| SCHEMBL20155297 | 0.80 | SYK (0.49) | BCDIN3DSYKGPR119KDM4EPKM |
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-3530656-B1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | UNIV ZHEJIANG (CN) | 2022-01-05 | — | — | EP | disclosed |
| WO-2018086547-A1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | 浙江大学 | 2018-05-17 | — | — | WO | disclosed |