Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CRHBP | P24387 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 4/20 | 0.55 |
| ▸ | CASP3 | P42574 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GZMB | P10144 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL473285 | 0.82 | CASP1 (0.56) | SMN1; SMN2HTTMEN1CRHBPKMT2A | |
| SCHEMBL473286 | 0.82 | CASP1 (0.56) | SMN1; SMN2HTTMEN1CRHBPKMT2A | |
| SCHEMBL473287 | 0.82 | CASP1 (0.56) | SMN1; SMN2HTTMEN1CRHBPKMT2A | |
| SCHEMBL473234 | 0.81 | CASP1 (0.57) | CASP1CASP3 | |
| SCHEMBL473232 | 0.81 | CASP1 (0.57) | CASP1CASP3 | |
| SCHEMBL473235 | 0.81 | CASP1 (0.57) | CASP1CASP3 | |
| SCHEMBL486958 | 0.79 | CASP3 (0.53) | CASP1CASP3 | |
| SCHEMBL14664253 | 0.79 | CASP3 (0.53) | CASP1CASP3 | |
| SCHEMBL486960 | 0.79 | CASP3 (0.53) | CASP1CASP3 | |
| SCHEMBL486962 | 0.79 | CASP3 (0.53) | CASP1CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2412707-A2 | 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-01 | — | — | EP | disclosed |