Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
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 | 0.80 | NR1H2 (0.63) | NR1H2NR1H3 | |
| SCHEMBL7739199 | 0.79 | HPGD (0.55) | NR1H2NR1H3CA2ALDH1A1HPGD | |
| SCHEMBL5118101 | 0.79 | NR1H2 (0.56) | NR1H2NR1H3CA2TSHR | |
| SCHEMBL7732429 | 0.77 | NR1H2 (0.50) | NR1H2NR1H3HSD17B10ALDH1A1TSHR | |
| SCHEMBL21624754 | 0.76 | CA2 (0.56) | CA2CAMK2AAKR1B1HSD17B10ALDH1A1 | |
| SCHEMBL7738427 | 0.76 | NR1H2 (0.53) | NR1H2NR1H3HSD17B10ALDH1A1HPGD | |
| SCHEMBL7739084 | 0.76 | NR1H2 (0.53) | NR1H2NR1H3CA2ALDH1A1GAA | |
| SCHEMBL7732401 | 0.75 | NR1H2 (0.51) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL7738403 | 0.75 | NR1H2 (0.40) | NR1H2NR1H3ALDH1A1LMNAGAA | |
| SCHEMBL10522173 | 0.74 | NR1H2 (0.59) | NR1H2NR1H3CA2HSD17B10ALDH1A1 |
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 |