Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19917504 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL5831132 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL20529814 | 0.77 | KDM1A (0.46) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL4564377 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL195563 | 0.76 | KMT2A (0.59) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL12360950 | 0.76 | CA9 (0.52) | ALDH1A1CYP3A4SMN1; SMN2KDM4EHPGD | |
| SCHEMBL14298196 | 0.76 | CA9 (0.52) | ALDH1A1CYP3A4SMN1; SMN2KDM4EHPGD | |
| SCHEMBL11500697 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL19938067 | 0.75 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2PPARGKDM4EHPGD | |
| SCHEMBL7873597 | 0.75 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2PPARGKDM4EHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5879556-A | Method of recovering extractant | HENKEL CORPORATION | 1999-03-09 | — | — | US | claimed |
| WO-1996022822-A1 | METHOD OF RECOVERING EXTRACTANT | HENKEL CORPORATION (US) | 1996-08-01 | — | — | WO | claimed |