Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL7110517 | 0.89 | GABRA1 (0.30) | GABRA1GABRB2 | |
| SCHEMBL21403458 | 0.82 | S1PR1 (0.36) | ALDH1A1 | |
| SCHEMBL7105272 | 0.80 | GABRA1 (0.33) | GABRA1GABRB2ALDH1A1 | |
| SCHEMBL31253543 | 0.78 | RXRB (0.35) | — | |
| SCHEMBL28723738 | 0.75 | BRD4 (0.34) | — | |
| SCHEMBL3404398 | 0.74 | PDCD1 (0.35) | ALDH1A1 | |
| SCHEMBL31253552 | 0.74 | PDCD1 (0.35) | ALDH1A1 | |
| SCHEMBL467050 | 0.74 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7108099 | 0.74 | GABRA1 (0.30) | GABRA1GABRB2 | |
| SCHEMBL7036100 | 0.74 | BRD4 (0.36) | — |
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-1133504-B1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |