Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 13/20 | 0.43 |
| ▸ | HPGD | P15428 | 10/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | WNT1 | P04628 | 4/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | CLK2 | P49760 | 2/20 | 0.43 |
| ▸ | CLK3 | P49761 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL23048818 | 0.90 | DYRK1A (0.42) | ALDH1A1HSD17B10HPGDTSHRUSP2 | |
| SCHEMBL23916092 | 0.86 | HRH4 (0.42) | ALDH1A1HSD17B10HPGDTSHRUSP2 | |
| SCHEMBL19547056 | 0.83 | HRH4 (0.55) | ALDH1A1HSD17B10CYP2D6HRH4CYP1A2 | |
| SCHEMBL23048859 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HSD17B10HPGDTSHRUSP2 | |
| SCHEMBL23048856 | 0.77 | HRH3 (0.53) | ALDH1A1HSD17B10HPGDTSHRUSP2 | |
| SCHEMBL11998350 | 0.76 | PTPN11 (0.43) | — | |
| SCHEMBL23048624 | 0.75 | DYRK1A (0.39) | ALDH1A1HSD17B10HPGDTSHRUSP2 | |
| SCHEMBL786129 | 0.75 | ALDH1A3 (0.49) | ALDH1A1TSHRSMN1; SMN2HRH4 | |
| SCHEMBL29886325 | 0.75 | ALDH1A3 (0.49) | ALDH1A1TSHRSMN1; SMN2HRH4 | |
| SCHEMBL14232379 | 0.73 | HRH4 (0.50) | ALDH1A1TSHRSMN1; SMN2HRH4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3448386-B1 | ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF | SAMUMED LLC (US) | 2021-03-03 | — | — | EP | disclosed |