Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23048665 | 0.85 | HRH4 (0.52) | HRH4HSD17B10ALDH1A1HPGDCYP2D6 | |
| SCHEMBL23048818 | 0.84 | DYRK1A (0.42) | DYRK1AHRH4HSD17B10ALDH1A1HPGD | |
| SCHEMBL23048622 | 0.75 | ALDH1A1 (0.43) | DYRK1AHRH4HSD17B10ALDH1A1HPGD | |
| SCHEMBL23916092 | 0.75 | HRH4 (0.42) | DYRK1AHRH4HSD17B10ALDH1A1HPGD | |
| SCHEMBL23048862 | 0.70 | HRH3 (0.40) | DYRK1AHRH4HRH3OPRD1WNT1 | |
| SCHEMBL23916715 | 0.68 | HRH3 (0.51) | DYRK1AHRH4HSD17B10ALDH1A1HPGD | |
| SCHEMBL23916236 | 0.68 | HRH3 (0.51) | DYRK1AHRH4HSD17B10ALDH1A1HPGD | |
| SCHEMBL19546591 | 0.68 | HRH4 (0.56) | HRH4HSD17B10ALDH1A1HPGDCYP2D6 | |
| SCHEMBL23048856 | 0.68 | HRH3 (0.53) | DYRK1AHSD17B10ALDH1A1HPGDTSHR | |
| SCHEMBL19547056 | 0.67 | HRH4 (0.55) | HRH4HSD17B10ALDH1A1CYP2D6MEN1 |
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 |