Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29684461 | 1.00 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2TDP1GABRA1 | |
| SCHEMBL29683860 | 0.83 | MAPT (0.44) | ALDH1A1LMNASMN1; SMN2TDP1HTT | |
| SCHEMBL28792142 | 0.83 | MAPT (0.44) | ALDH1A1LMNASMN1; SMN2TDP1HTT | |
| SCHEMBL29683807 | 0.81 | RECQL (0.55) | LMNASMN1; SMN2MEN1KMT2ANPSR1 | |
| SCHEMBL28792151 | 0.81 | RECQL (0.55) | LMNASMN1; SMN2MEN1KMT2ANPSR1 | |
| SCHEMBL28301800 | 0.81 | PDE4A (0.41) | ALDH1A1LMNASMN1; SMN2TDP1MEN1 | |
| SCHEMBL14189755 | 0.74 | PDE4A (0.55) | ALDH1A1LMNASMN1; SMN2TDP1GABRA1 | |
| SCHEMBL625935 | 0.72 | GABRA1 (0.53) | ALDH1A1LMNASMN1; SMN2TDP1GABRA1 | |
| SCHEMBL625934 | 0.72 | GABRA1 (0.53) | ALDH1A1LMNASMN1; SMN2TDP1GABRA1 | |
| SCHEMBL625933 | 0.72 | GABRA1 (0.53) | ALDH1A1LMNASMN1; SMN2TDP1GABRA1 |
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-109942459-B | Method for synthesizing 3-difluoromethyl-3-acrylonitrile compounds | 南京理工大学 | 2022-06-24 | — | — | CN | disclosed |