Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL8836682 | 0.84 | NR1H2 (0.63) | NR1H2NR1H3 | |
| SCHEMBL7732401 | 0.79 | NR1H2 (0.51) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL5118101 | 0.79 | NR1H2 (0.56) | NR1H2NR1H3TSHR | |
| SCHEMBL7737536 | 0.79 | NR1H2 (0.51) | NR1H2NR1H3SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL31347674 | 0.78 | NR1H2 (0.50) | NR1H2NR1H3 | |
| SCHEMBL7732393 | 0.77 | NR1H2 (0.50) | NR1H2NR1H3SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL7739084 | 0.76 | NR1H2 (0.53) | NR1H2NR1H3ALDH1A1TSHRPPARA | |
| SCHEMBL7740839 | 0.76 | NR1H2 (0.49) | NR1H2NR1H3 | |
| SCHEMBL10941257 | 0.76 | NR1H2 (0.56) | NR1H2NR1H3SMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL7738404 | 0.75 | NR1H2 (0.47) | NR1H2NR1H3 |
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 |