Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid Dimethyl Ester SCHEMBL5506044 | 0.81 | ALDH1A1 (0.47) | USP2TSHRALDH1A1CXCR4SMN1; SMN2 | |
| Pyrrolidine SCHEMBL3839669 | 0.81 | ALDH1A1 (0.40) | USP2TSHRALDH1A1CXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL30496139 | 0.79 | ALDH1A1 (0.45) | USP2TSHRALDH1A1CXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL28253499 | 0.79 | ALDH1A1 (0.45) | USP2TSHRALDH1A1CXCR4SMN1; SMN2 | |
| Cyclohexane SCHEMBL8538495 | 0.78 | USP2 (0.77) | USP2TSHRALDH1A1KDM4ELMNA | |
| Methanesulfonic Acid Methyl Ester SCHEMBL9819989 | 0.78 | USP2 (0.77) | USP2TSHRALDH1A1KDM4ELMNA | |
| Pyrrolidine SCHEMBL28068383 | 0.77 | CA1 (0.50) | TSHRALDH1A1CXCR4SMN1; SMN2KDM4E | |
| Pyrrolidine SCHEMBL8652906 | 0.77 | ALDH1A1 (0.47) | TSHRALDH1A1CXCR4SMN1; SMN2KDM4E | |
| Pyrrolidine SCHEMBL29185046 | 0.77 | ALDH1A1 (0.47) | TSHRALDH1A1CXCR4SMN1; SMN2KDM4E | |
| Methanesulfonic Acid Methyl Ester SCHEMBL573583 | 0.74 | — | — |
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-2004080974-A1 | A PURIFICATION METHOD OF IONIC LIQUIDS TO OBTAIN THEIR HIGH PURITY | CHEMTECH RESEARCH INCORPORATION (KR) | 2004-09-23 | — | — | WO | disclosed |