Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 10/20 | 0.33 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9207639 | 0.83 | — | — | |
| SCHEMBL29051864 | 0.81 | FDPS (0.34) | FDPSGGPS1ESR1ESR2ALDH1A1 | |
| SCHEMBL28159109 | 0.79 | FDPS (0.33) | FDPSGGPS1ESR1ESR2 | |
| SCHEMBL597234 | 0.77 | FDPS (0.32) | FDPSGGPS1ESR1ESR2ALDH1A1 | |
| SCHEMBL525751 | 0.75 | TSHR (0.33) | FDPSGGPS1ALDH1A1 | |
| SCHEMBL532845 | 0.75 | FDPS (0.35) | FDPSGGPS1ALDH1A1 | |
| SCHEMBL14561037 | 0.72 | FDPS (0.36) | FDPSGGPS1ESR1ESR2ALDH1A1 | |
| SCHEMBL30528715 | 0.72 | FDPS (0.45) | FDPSGGPS1CES2 | |
| SCHEMBL13949279 | 0.72 | FDPS (0.45) | FDPSGGPS1CES2 | |
| SCHEMBL8346670 | 0.72 | FDPS (0.45) | FDPSGGPS1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985582-A | CHEMICAL INTERMEDIATES FOR BICYCLIC RING COMPOUNDS HAVING MULTIPLE SULFUR ATOMS IN THE RING SYSTEM | THE WELLCOME FOUNDATION LTD. (GB) | 1991-01-15 | — | — | US | disclosed |
| EP-0216625-A2 | Pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-04-01 | — | — | EP | disclosed |