Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 8/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21590367 | 1.00 | NR1H2 (0.51) | NR1H2NR1H3SIGMAR1TMEM97DPP4 | |
| SCHEMBL7016352 | 0.80 | SIGMAR1 (0.45) | NR1H2NR1H3SIGMAR1TMEM97HTR1A | |
| SCHEMBL7010020 | 0.78 | SIGMAR1 (0.46) | SIGMAR1TMEM97ADRA1DHTR1AHRH2 | |
| SCHEMBL30554137 | 0.77 | PARP1 (0.63) | NR1H2NR1H3DPP4PDK1PDK2 | |
| SCHEMBL7020197 | 0.77 | SIGMAR1 (0.42) | NR1H2NR1H3SIGMAR1TMEM97HTR1A | |
| SCHEMBL7013241 | 0.77 | SIGMAR1 (0.42) | NR1H2NR1H3SIGMAR1TMEM97HTR1A | |
| SCHEMBL5536367 | 0.77 | CA1 (0.57) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL7016513 | 0.76 | NR1H2 (0.48) | NR1H2NR1H3SIGMAR1TMEM97DPP4 | |
| SCHEMBL5536363 | 0.74 | PDK1 (0.49) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL7016082 | 0.74 | NPSR1 (0.46) | NR1H2NR1H3SIGMAR1TMEM97TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112585134-A | Pyridyl heterocyclyl compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2021-03-30 | — | — | CN | disclosed |
| WO-2019238629-A1 | PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |