Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28545966 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHR | |
| SCHEMBL21198855 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHR | |
| SCHEMBL21198853 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHR | |
| SCHEMBL22230831 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHR | |
| SCHEMBL21198852 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHR | |
| SCHEMBL27547319 | 0.83 | TSHR (0.45) | ALDH1A1TDP1TSHR | |
| SCHEMBL8113992 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHR | |
| SCHEMBL27341359 | 0.81 | ALDH1A1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL5404110 | 0.78 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL4734172 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008033352-A2 | MONOCARBOXYLATES FOR MODIFYING MACROPHAGE FUNCTION | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2008-03-20 | — | — | WO | disclosed |