Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8836682 | 0.85 | NR1H2 (0.63) | NR1H2NR1H3MAPT | |
| SCHEMBL9651763 | 0.84 | NR1H2 (0.54) | NR1H2NR1H3ALDH1A1 | |
| SCHEMBL7732429 | 0.79 | NR1H2 (0.50) | NR1H2NR1H3ALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL10941257 | 0.78 | NR1H2 (0.56) | NR1H2NR1H3CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL7738428 | 0.76 | NR1H2 (0.54) | NR1H2NR1H3 | |
| SCHEMBL7737525 | 0.76 | NR1H2 (0.54) | NR1H2NR1H3CYP2A6ALDH1A1MAPT | |
| SCHEMBL10522173 | 0.76 | NR1H2 (0.59) | NR1H2NR1H3ALDH1A1TYRHSD17B10 | |
| SCHEMBL1147728 | 0.75 | NR1H2 (0.53) | NR1H2NR1H3ALDH1A1MAPT | |
| SCHEMBL7737547 | 0.75 | NR1H2 (0.43) | NR1H2NR1H3 | |
| SCHEMBL7739199 | 0.74 | HPGD (0.55) | NR1H2NR1H3ALDH1A1TYRMAPT |
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 |