Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 12/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL486964 | 0.90 | ELANE (0.43) | ELANECASP1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL486965 | 0.90 | ELANE (0.43) | ELANECASP1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8266727 | 0.85 | ALDH1A1 (0.46) | CASP1ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL486979 | 0.83 | ALDH1A1 (0.48) | CASP1ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL486980 | 0.83 | ALDH1A1 (0.48) | CASP1ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL8266455 | 0.81 | CASP1 (0.44) | CASP1 | |
| SCHEMBL8267206 | 0.80 | CYP24A1 (0.35) | ALDH1A1MAPTCYP2C9CYP2C19NPSR1 | |
| SCHEMBL486959 | 0.79 | CASP1 (0.49) | CASP1 | |
| SCHEMBL14664251 | 0.79 | CASP1 (0.49) | CASP1 | |
| SCHEMBL486957 | 0.79 | CASP1 (0.49) | CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006057961-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |