Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL6462033 | 1.00 | CA2 (0.39) | CA2ALDH1A1POLBSMN1; SMN2PDK1 | |
| SCHEMBL4463196 | 0.76 | KDM4C (0.42) | CA2ALDH1A1POLBSMN1; SMN2PDK1 | |
| Hydrochloric Acid SCHEMBL4469009 | 0.74 | KDM4C (0.41) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL16976215 | 0.73 | ALDH1A1 (0.36) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6719312 | 0.72 | MEN1 (0.36) | CA2POLBMEN1KMT2A | |
| SCHEMBL31628075 | 0.72 | MEN1 (0.36) | CA2POLBMEN1KMT2A | |
| SCHEMBL2757992 | 0.72 | CA2 (0.48) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL24965898 | 0.70 | CA2 (0.36) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL24965166 | 0.70 | SMN1; SMN2 (0.40) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL24965167 | 0.70 | SMN1; SMN2 (0.40) | CA2ALDH1A1POLBSMN1; SMN2MEN1 |
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-1155138-B1 | METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES | LONZA AG (CH) | 2005-01-05 | — | — | EP | disclosed |