Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3152109 | 0.97 | ALDH1A1 (0.35) | ALDH1A1GAARECQLTSHR | |
| SCHEMBL3143889 | 0.85 | TSHR (0.33) | TSHR | |
| SCHEMBL5522 | 0.84 | — | — | |
| SCHEMBL5552734 | 0.84 | CYP3A4 (0.42) | ALDH1A1TSHR | |
| SCHEMBL3143531 | 0.82 | CYP3A4 (0.40) | ALDH1A1TSHR | |
| SCHEMBL15339371 | 0.81 | ALDH1A1 (0.38) | ALDH1A1GAATSHR | |
| SCHEMBL17914318 | 0.81 | ALDH1A1 (0.38) | ALDH1A1GAATSHR | |
| SCHEMBL23295171 | 0.81 | — | — | |
| Water SCHEMBL28124261 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL8907663 | 0.81 | — | — |
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-1867650-B1 | HYDROXYMETHYLBORON COMPOUNDS | EISAI R&D MAN CO LTD (JP) | 2012-06-27 | — | — | EP | claimed |