Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29653537 | 0.93 | — | — | |
| SCHEMBL113672 | 0.93 | — | — | |
| Bromide SCHEMBL18228015 | 0.91 | — | — | |
| Bromide SCHEMBL31024397 | 0.91 | — | — | |
| Formaldehyde SCHEMBL29031592 | 0.86 | P2RX7 (0.40) | ALDH1A1HSP90AA1NOS3NOS1NOS2 | |
| SCHEMBL29067869 | 0.81 | TRIM24 (0.42) | ALDH1A1HSP90AA1NOS3NOS1NOS2 | |
| Formic Acid Methyl Ester SCHEMBL29281000 | 0.78 | TRIM24 (0.40) | NOS3NOS1NOS2P2RX7SMN1; SMN2 | |
| Dimethylformamide SCHEMBL27472098 | 0.78 | TRIM24 (0.40) | ALDH1A1HSP90AA1NOS3NOS1NOS2 | |
| SCHEMBL31016865 | 0.77 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27868253 | 0.73 | ALDH1A1 (0.36) | ALDH1A1NPC1L3MBTL1P2RX7SMN1; SMN2 |
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-106117213-A | Heteroaryl compound and synthesis thereof and purification process | 西格诺药品有限公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-102686225-A | Process for synthesis and purification of heteroaryl compounds | SIGNAL PHARM LLC | 2012-09-19 | — | — | CN | disclosed |