Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.47 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4956252 | 0.90 | CYP2C9 (0.46) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 | |
| SCHEMBL11082974 | 0.88 | CYP2C9 (0.42) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 | |
| SCHEMBL4952783 | 0.87 | CYP2C9 (0.44) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 | |
| SCHEMBL28086991 | 0.86 | CYP2C9 (0.51) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 | |
| SCHEMBL28211972 | 0.84 | EPHX1 (0.59) | CYP2C19CYP2D6GABBR2GABBR1LMNA | |
| SCHEMBL350338 | 0.82 | CYP2C9 (0.60) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 | |
| SCHEMBL4826506 | 0.82 | GABBR2 (0.46) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 | |
| SCHEMBL9541600 | 0.81 | CYP2C9 (0.44) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 | |
| SCHEMBL8701919 | 0.81 | MEN1 (0.50) | KMT2AMEN1EPHX1 | |
| SCHEMBL3637896 | 0.81 | FFAR2 (0.50) | CYP2C9KMT2ACYP2C19MEN1CYP2D6 |
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-111254134-B | Nitrile hydrolase mutant and application thereof in (S) -mononitrile monoacid synthesis | 中国科学院天津工业生物技术研究所 | 2021-09-07 | — | — | CN | disclosed |
| CN-111254134-A | Nitrile hydrolase mutant and application thereof in (S) -mononitrile monoacid synthesis | 中国科学院天津工业生物技术研究所 | 2020-06-09 | — | — | CN | disclosed |