Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.32 |
| ▸ | CTRC | Q99895 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8531288 | 0.75 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL665537 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CES2PRSS1CTRCF2 | |
| SCHEMBL11104029 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CES2 | |
| SCHEMBL9066712 | 0.75 | — | — | |
| SCHEMBL472480 | 0.71 | ALDH1A1 (0.72) | ALDH1A1CES2 | |
| SCHEMBL2594870 | 0.71 | ALDH1A1 (0.43) | ALDH1A1CES2PRSS1CTRCF2 | |
| SCHEMBL12532876 | 0.70 | ALDH1A1 (0.38) | ALDH1A1PRSS1CTRCF2 | |
| SCHEMBL12532861 | 0.70 | ALDH1A1 (0.38) | ALDH1A1PRSS1CTRCF2 | |
| SCHEMBL12532881 | 0.70 | ALDH1A1 (0.38) | ALDH1A1PRSS1CTRCF2 | |
| SCHEMBL12532885 | 0.70 | ALDH1A1 (0.38) | ALDH1A1PRSS1CTRCF2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200392268-A1 | HIGH MOLECULAR WEIGHT POLYISOBUTYLENES AND POLYISOBUTYLENE NETWORKS FROM LIQUID POLYISOBUTYLENES BY THIOL-ENE CLICKING | THE UNIVERSITY OF AKRON (US) | 2020-12-17 | — | — | US | disclosed |