Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14556226 | 0.83 | CSNK2A1 (0.38) | NUDT1PIN1CDK1CCNB1CCNA2 | |
| SCHEMBL2393577 | 0.82 | RXRA (0.38) | NUDT1RXRAGRIN1GRIN2BPIN1 | |
| SCHEMBL89746 | 0.82 | NUDT1 (0.36) | NUDT1RXRAGRIN1GRIN2BPIN1 | |
| SCHEMBL15585226 | 0.80 | PIN1 (0.35) | PIN1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL19510683 | 0.80 | POLB (0.44) | PIN1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL1996295 | 0.76 | ALDH1A1 (0.44) | NUDT1RXRAGRIN1GRIN2BPIN1 | |
| SCHEMBL22866244 | 0.75 | CRHR1 (0.38) | RXRAGRIN1GRIN2BCRHR1 | |
| SCHEMBL20733627 | 0.75 | RPS6KA5 (0.36) | NUDT1RXRAGRIN1GRIN2BPIN1 | |
| SCHEMBL9987642 | 0.73 | PIN1 (0.59) | RXRAGRIN1GRIN2BPIN1ALDH1A1 | |
| SCHEMBL19676032 | 0.72 | AURKA (0.39) | NUDT1RXRAGRIN1GRIN2BPIN1 |
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-2840080-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2017-12-06 | — | — | EP | disclosed |