Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL197706 | 0.78 | ALDH1A1 (0.37) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL29199309 | 0.77 | GRIK1 (0.38) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL1931284 | 0.72 | ALDH1A1 (0.32) | ALDH1A1CES2CES1 | |
| SCHEMBL6451173 | 0.67 | ALDH1A1 (0.48) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL429458 | 0.65 | ALDH1A1 (0.41) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL19212521 | 0.64 | CES2 (0.43) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL15547970 | 0.64 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL15547971 | 0.64 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL886933 | 0.64 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL139743 | 0.63 | — | — |
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-6228135-B1 | Purification of very slightly contaminated air within a clean room | EBARA CORPORATION (JP) | 2001-05-08 | — | — | US | claimed |