Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 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 | |
|---|---|---|---|---|
| SCHEMBL8977225 | 0.81 | ALDH1A1 (0.39) | ALDH1A1DAODPP4NPSR1MEN1 | |
| SCHEMBL8599564 | 0.79 | HSP90AA1 (0.39) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL1250389 | 0.78 | ALDH1A1 (0.46) | ALDH1A1KDM4ECDK4CCND1KMT2A | |
| SCHEMBL8977342 | 0.77 | NPSR1 (0.45) | ALDH1A1KDM4ECDK4CCND1NPSR1 | |
| SCHEMBL8686907 | 0.77 | KDM4E (0.35) | ALDH1A1KDM4ELMNA | |
| SCHEMBL8686369 | 0.77 | ALDH1A1 (0.39) | ALDH1A1KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL8686695 | 0.73 | PDE3B (0.33) | — | |
| SCHEMBL5906191 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4ENPSR1RXFP1KMT2A | |
| SCHEMBL8977221 | 0.71 | SMN1; SMN2 (0.47) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL8598961 | 0.71 | MAPK11 (0.39) | ALDH1A1CDK4CCND1DAOKMT2A |
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-0708097-A1 | Herbicidally active tetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-04-24 | — | — | EP | disclosed |