Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093754 | 1.00 | TSHR (0.45) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL241578 | 0.79 | — | — | |
| SCHEMBL2354321 | 0.79 | — | — | |
| SCHEMBL241577 | 0.79 | — | — | |
| SCHEMBL19565862 | 0.79 | ALDH1A1 (0.33) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL9508880 | 0.75 | ALDH1A1 (0.30) | TSHR | |
| SCHEMBL15772046 | 0.69 | TSHR (0.39) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL17298671 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL3987451 | 0.65 | — | — | |
| SCHEMBL8930505 | 0.62 | — | — |
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-2003084662-A2 | COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS | CELANESE VENTURES GMBH (DE) | 2003-10-16 | — | — | WO | disclosed |