Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | OR51E2 | Q9H255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8014451 | 1.00 | AKR1B1 (0.53) | AKR1B1LMNAALDH1A1TDP1L3MBTL1 | |
| SCHEMBL12927523 | 0.84 | GAPDH (0.50) | AKR1B1LMNAALDH1A1TDP1TSHR | |
| Acetone SCHEMBL9744462 | 0.84 | AKR1B1 (0.48) | AKR1B1LMNAALDH1A1TDP1TSHR | |
| SCHEMBL28094225 | 0.82 | — | — | |
| SCHEMBL6742544 | 0.80 | AKR1B1 (0.57) | AKR1B1 | |
| SCHEMBL12122486 | 0.79 | — | — | |
| SCHEMBL12124671 | 0.79 | — | — | |
| SCHEMBL11060400 | 0.79 | — | — | |
| SCHEMBL1848490 | 0.79 | — | — | |
| SCHEMBL1848491 | 0.79 | — | — |
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-0982283-A2 | Method for the separation of polyfunctional alcohols from water-soluble salts in aqueous systems | Degussa-Hüls Aktiengesellschaft (DE) | 2000-03-01 | — | — | EP | disclosed |