Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 10/20 | 0.57 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.57 |
| ▸ | CDK2 | P24941 | 8/20 | 0.57 |
| ▸ | CCNA1 | P78396 | 8/20 | 0.57 |
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13490489 | 0.81 | CHEK1 (0.48) | CHEK1CCNA2CDK2CCNA1IKBKB | |
| SCHEMBL171349 | 0.74 | CHEK1 (0.50) | CHEK1CCNA2CDK2CCNA1IKBKB | |
| SCHEMBL13490570 | 0.73 | HPGDS (0.54) | CHEK1CCNA2CDK2CCNA1HTR2A | |
| SCHEMBL11930771 | 0.73 | CHEK1 (1.00) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL27948519 | 0.72 | HTR2A (0.52) | CHEK1CCNA2CDK2CCNA1IKBKB | |
| SCHEMBL13490495 | 0.71 | DRD2 (0.47) | CHEK1CCNA2CDK2CCNA1KCNH2 | |
| SCHEMBL15440766 | 0.70 | CHEK1 (0.52) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL20502510 | 0.70 | CHEK1 (0.52) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL3399446 | 0.70 | KCNH2 (0.55) | HTR2AHTR2CKCNH2HPGDS | |
| SCHEMBL381572 | 0.69 | SLC18A3 (0.59) | HTR2AHTR2CKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426120-A1 | Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them | Fujifilm Finechemicals Co., Ltd. (JP) | 2012-03-07 | — | — | EP | disclosed |