Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11039354 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTCDK5CDK5R1CYP1A2 | |
| SCHEMBL3691825 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPTCDK5CDK5R1CYP1A2 | |
| SCHEMBL17048984 | 0.80 | HPGD (0.40) | ALDH1A1MAPTCDK5CDK5R1CYP1A2 | |
| SCHEMBL4617975 | 0.80 | ALDH1A1 (0.51) | ALDH1A1MAPTCYP1A2MEN1KMT2A | |
| SCHEMBL11042326 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL28157672 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MAPTCDK5CDK5R1CYP1A2 | |
| SCHEMBL9051742 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTCDK5CDK5R1CYP1A2 | |
| SCHEMBL2610140 | 0.74 | ESR1 (0.42) | ALDH1A1MAPTMEN1KMT2ASGMS2 | |
| SCHEMBL3295518 | 0.73 | ALDH1A1 (0.36) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL11042257 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDTDP1SGMS2 |
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-112920223-B | Catalyst for silicon cyanation reaction of aldehyde and trimethylsilyl cyanide and preparation method thereof | 兰州大学 | 2022-09-20 | — | — | CN | disclosed |