Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | EGFR | P00533 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29227377 | 0.89 | KMT2A (0.63) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL28047896 | 0.86 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL3369340 | 0.82 | KMT2A (0.68) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL9362127 | 0.80 | CISD1 (0.58) | ALDH1A1KDM4ECISD1HPGDCYP3A4 | |
| SCHEMBL9362134 | 0.80 | CISD1 (0.58) | ALDH1A1KDM4ECISD1HPGDCYP3A4 | |
| SCHEMBL11583675 | 0.79 | KMT2A (0.63) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL10692594 | 0.78 | CA2 (0.50) | ALDH1A1KDM4ELMNAPOLBTHRB | |
| SCHEMBL14964565 | 0.78 | MAPT (0.62) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL17466932 | 0.77 | MAPT (1.00) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL29291452 | 0.77 | GRIN2D (0.49) | ALDH1A1KDM4ELMNATHRBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-1560029-A | Substituting Cis-1,2-dicyano vinyl and synthesis process thereof | 黑龙江大学 | 2005-01-05 | — | — | CN | disclosed |