Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 3/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | STK17B | O94768 | 1/20 | 0.35 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21591747 | 0.85 | MTNR1B (0.46) | MTNR1BMTNR1ANQO2HTTNPSR1 | |
| SCHEMBL8288755 | 0.83 | ATR (0.34) | MTNR1BMTNR1ACA1CA2CA12 | |
| SCHEMBL28517134 | 0.82 | MTNR1A (0.41) | MTNR1BMTNR1ANQO2CA1CA2 | |
| SCHEMBL21591738 | 0.80 | NQO2 (0.40) | MTNR1BMTNR1ANQO2CA1CA2 | |
| SCHEMBL23854684 | 0.79 | MTNR1B (0.46) | MTNR1BMTNR1ANQO2CA1CA2 | |
| SCHEMBL23854724 | 0.78 | MTNR1B (0.48) | MTNR1BMTNR1ANQO2HTTNPSR1 | |
| SCHEMBL30570606 | 0.78 | MTNR1B (0.48) | MTNR1BMTNR1ANQO2HTTNPSR1 | |
| SCHEMBL21591730 | 0.78 | NPC1 (0.43) | MTNR1BMTNR1ANQO2HTTNPSR1 | |
| SCHEMBL23854682 | 0.77 | MTNR1B (0.45) | MTNR1BMTNR1ANQO2HTTNPSR1 | |
| SCHEMBL21594070 | 0.76 | MTNR1B (0.42) | MTNR1BMTNR1ANQO2HTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3807270-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| WO-2019238616-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |