Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 7/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5443622 | 0.96 | KDM4E (0.42) | SMN1; SMN2CDK5CDK5R1CCNA2CDK2 | |
| Benzene SCHEMBL8630026 | 0.78 | CDK5 (0.47) | SMN1; SMN2CDK5CDK5R1CCNA2CDK2 | |
| SCHEMBL6234455 | 0.74 | CDK5 (0.46) | SMN1; SMN2CDK5CDK5R1CCNA2CDK2 | |
| SCHEMBL12706721 | 0.73 | KDM4E (0.42) | KDM4EHTTTSHRHSD17B10ALDH1A1 | |
| SCHEMBL5436263 | 0.72 | RIPK1 (0.33) | — | |
| SCHEMBL1528705 | 0.72 | HTR2C (0.34) | SMN1; SMN2 | |
| SCHEMBL12841024 | 0.70 | CTSS (0.33) | KDM4ETSHRHSD17B10ALDH1A1MAPT | |
| SCHEMBL426656 | 0.69 | GRM5 (0.51) | SMN1; SMN2CDK5CDK5R1CCNA2CDK2 | |
| SCHEMBL9954250 | 0.69 | CDK5 (0.46) | CDK5CDK5R1CCNA2CDK2GRM5 | |
| SCHEMBL29564444 | 0.69 | CDK5 (0.46) | SMN1; SMN2CDK5CDK5R1CCNA2CDK2 |
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-1739081-A1 | HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |