Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21430205 | 0.86 | DYRK1A (0.59) | DYRK1ACYP3A4GAAGFERNAMPT | |
| SCHEMBL22068726 | 0.83 | KDM4E (0.48) | CA1CA2CYP3A4GLAKMT2A | |
| SCHEMBL15367044 | 0.83 | CYP3A4 (0.44) | CA1CA2CYP3A4HTTNPSR1 | |
| SCHEMBL18041452 | 0.83 | CA1 (0.45) | CA1CA2CYP3A4HTTNPSR1 | |
| SCHEMBL16822009 | 0.82 | SMN1; SMN2 (0.45) | GLAKMT2ANPC1GAARAB9A | |
| SCHEMBL6204579 | 0.80 | MTNR1A (0.58) | CA1CA2NPC1GAARAB9A | |
| SCHEMBL8757522 | 0.79 | GLA (0.67) | CA1CA2GLAKMT2ANPC1 | |
| SCHEMBL23684240 | 0.79 | CNR1 (0.43) | CA1CA2GLAKMT2ANPC1 | |
| SCHEMBL21914698 | 0.79 | DYRK1A (0.47) | DYRK1ACYP3A4GAAALDH1A1GFER | |
| SCHEMBL31156743 | 0.79 | CNR1 (0.46) | CA1CA2GLAKMT2ANPC1 |
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-3082819-B1 | SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2020-06-17 | — | — | EP | disclosed |