Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10387975 | 0.77 | TSHR (0.48) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL11498092 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL7732388 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL7732409 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL7732432 | 0.71 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Water SCHEMBL29179560 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL7193434 | 0.70 | ALDH1A1 (0.52) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL9578892 | 0.70 | ALDH1A1 (0.52) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL7732399 | 0.69 | PTGS2 (0.45) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL173301 | 0.68 | ALDH1A1 (0.64) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |