Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217777 | 1.00 | CYP2C19 (0.49) | CYP2C19SMN1; SMN2HTTTSHRFOLH1 | |
| SCHEMBL27711647 | 1.00 | CYP2C19 (0.49) | CYP2C19SMN1; SMN2HTTTSHRFOLH1 | |
| SCHEMBL9886647 | 0.86 | ALDH1A1 (0.49) | CYP2C19SMN1; SMN2HTTTSHRFOLH1 | |
| SCHEMBL2973368 | 0.85 | TSHR (0.52) | CYP2C19SMN1; SMN2HTTTSHRFOLH1 | |
| SCHEMBL8722230 | 0.83 | CYP2C19 (0.47) | CYP2C19SMN1; SMN2HTTTSHRFOLH1 | |
| SCHEMBL1360316 | 0.81 | CA1 (0.58) | CYP2C19TSHRFOLH1SLC1A1CA1 | |
| SCHEMBL1768176 | 0.81 | CA1 (0.58) | CYP2C19TSHRFOLH1SLC1A1CA1 | |
| SCHEMBL1360318 | 0.81 | CA1 (0.58) | CYP2C19TSHRFOLH1SLC1A1CA1 | |
| SCHEMBL2252306 | 0.81 | CYP2C19 (0.46) | CYP2C19SMN1; SMN2HTTTSHRFOLH1 | |
| SCHEMBL8712990 | 0.81 | TSHR (0.56) | CYP2C19SMN1; SMN2HTTTSHRFOLH1 |
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-101098855-B | 3- [2- (3-amido-2-oxo-2H-pyridin-1-yl) -acetylamino ] -4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMA | 2012-06-06 | — | — | CN | disclosed |
| CN-101098855-A | 3- [2- (3-amido-2-oxo-2H-pyridin-1-yl) -acetylamino ] -4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMA (US) | 2008-01-02 | — | — | CN | disclosed |