Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21312155 | 0.78 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19 | |
| SCHEMBL28980551 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL28742558 | 0.71 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL144167 | 0.71 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL1621552 | 0.71 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19 | |
| SCHEMBL10496124 | 0.70 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1TSHR | |
| Trifluoroacetic Acid SCHEMBL21632604 | 0.69 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TSHR | |
| Trifluoroacetic Acid SCHEMBL28849341 | 0.69 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TSHR | |
| Trifluoroacetic Acid SCHEMBL3845260 | 0.69 | CA1 (0.47) | ALDH1A1L3MBTL1TSHR | |
| Trifluoroacetic Acid SCHEMBL30657138 | 0.69 | CA1 (0.47) | ALDH1A1L3MBTL1TSHR |
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-2404908-A1 | PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST | Teijin Pharma Limited (JP) | 2012-01-11 | — | — | EP | disclosed |