Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517452 | 0.81 | LPL (0.39) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL173301 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8518392 | 0.78 | THRB (0.46) | ALDH1A1MAPTCNR2MEN1CNR1 | |
| SCHEMBL13169397 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Water SCHEMBL29179560 | 0.75 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Bromide SCHEMBL8645583 | 0.75 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Phosphine SCHEMBL28908227 | 0.75 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL463323 | 0.75 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL13169394 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Hydrogen Peroxide SCHEMBL7816450 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005232099-A | ORGANOSILICON COMPOUND AND METHOD FOR PRODUCING THE SAME | JAPAN SCIENCE & TECHNOLOGY AGENCY | 2005-09-02 | — | — | JP | disclosed |