Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 11/20 | 0.57 |
| ▸ | HPGD | P15428 | 7/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.45 |
| ▸ | TSHR | P16473 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.45 |
| ▸ | USP2 | O75604 | 7/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | WNT1 | P04628 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23048622 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDCYP1A2CYP2D6 | |
| SCHEMBL23048818 | 0.78 | DYRK1A (0.42) | ALDH1A1HSD17B10HPGDCYP1A2CYP2D6 | |
| SCHEMBL23048856 | 0.78 | HRH3 (0.53) | ALDH1A1HSD17B10HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL30327867 | 0.74 | ADRB1 (0.66) | ALDH1A1HSD17B10HPGDCYP1A2CYP2D6 | |
| SCHEMBL786129 | 0.72 | ALDH1A3 (0.49) | ALDH1A1TSHRSMN1; SMN2ADRB1 | |
| SCHEMBL29886325 | 0.72 | ALDH1A3 (0.49) | ALDH1A1TSHRSMN1; SMN2ADRB1 | |
| SCHEMBL11998350 | 0.71 | PTPN11 (0.43) | — | |
| SCHEMBL14232379 | 0.71 | HRH4 (0.50) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL13018665 | 0.70 | HRH3 (0.65) | ALDH1A1HSD17B10HPGDCYP1A2CYP2D6 | |
| SCHEMBL1715756 | 0.69 | PIK3CA (0.57) | ALDH1A1HSD17B10HPGDCYP2C19SMN1; SMN2 |
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 |