Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7790327 | 1.00 | SIGMAR1 (0.37) | SIGMAR1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7788013 | 1.00 | SIGMAR1 (0.37) | SIGMAR1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7790061 | 0.98 | SIGMAR1 (0.35) | SIGMAR1 | |
| SCHEMBL7790087 | 0.91 | SIGMAR1 (0.35) | SIGMAR1 | |
| SCHEMBL28911543 | 0.86 | SIGMAR1 (0.41) | SIGMAR1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28549626 | 0.86 | SIGMAR1 (0.41) | SIGMAR1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28551246 | 0.86 | SIGMAR1 (0.41) | SIGMAR1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7787278 | 0.81 | DRD3 (0.35) | CYP2D6CYP2C19 | |
| SCHEMBL3271304 | 0.75 | CYP3A4 (0.37) | CYP2D6CYP2C19 | |
| SCHEMBL28569522 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010029286-A1 | Procatalysts, catalyst systems, and use in OLEFIN polymerization | EASTMAN CHEMICAL COMPANY, A CORP. OF DELAWARE | 2001-10-11 | — | — | US | disclosed |
| US-20010025005-A1 | Procatalysts, catalyst systems, and use in olefin polymerization | EASTMAN CHEMICAL COMPANY, A CORPORATION OF DELAWARE | 2001-09-27 | — | — | US | disclosed |
| WO-2001051527-A1 | PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |
| WO-2001051529-A1 | PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |