Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.72 |
| ▸ | GAA | P10253 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | HTT | P42858 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.57 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.57 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.57 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28502868 | 1.00 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL29683884 | 1.00 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL28503664 | 1.00 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL2172790 | 0.85 | CHRNB2 (0.53) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL22201130 | 0.85 | CHRNB2 (0.53) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL854070 | 0.84 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL157171 | 0.81 | ALDH1A1 (0.66) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL2683364 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL20590950 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KDM4EGAATSHRHTT | |
| SCHEMBL3369061 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAATSHRHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112174763-B | Racemization method and application of pyridine derivative | 北京邦克凯姆医药科技有限公司 | 2021-04-27 | — | — | CN | disclosed |
| CN-112174763-A | Racemization method and application of pyridine derivative | 北京邦克凯姆医药科技有限公司 | 2021-01-05 | — | — | CN | disclosed |