Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18373478 | 0.91 | SIGMAR1 (0.59) | SMN1; SMN2LMNAKMT2ASIGMAR1HTT | |
| SCHEMBL14646798 | 0.80 | SIGMAR1 (0.57) | SMN1; SMN2LMNAKMT2ASIGMAR1HTT | |
| SCHEMBL18373455 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2LMNAKMT2ASIGMAR1HTT | |
| SCHEMBL18373432 | 0.78 | SIGMAR1 (0.59) | KMT2ASIGMAR1HTTL3MBTL1EGFR | |
| SCHEMBL18373436 | 0.78 | SIGMAR1 (0.40) | SMN1; SMN2KMT2ASIGMAR1HTTKDM4E | |
| SCHEMBL18373452 | 0.78 | SIGMAR1 (0.59) | KMT2ASIGMAR1HTTL3MBTL1EGFR | |
| SCHEMBL14646735 | 0.76 | SIGMAR1 (0.85) | SMN1; SMN2LMNAKMT2ASIGMAR1TSHR | |
| Hydrochloric Acid SCHEMBL14631032 | 0.75 | SIGMAR1 (0.84) | SMN1; SMN2LMNAKMT2ASIGMAR1TSHR | |
| SCHEMBL18373409 | 0.74 | SIGMAR1 (0.50) | SMN1; SMN2LMNASIGMAR1HTTKDM4E | |
| SCHEMBL18373410 | 0.70 | SIGMAR1 (0.54) | KMT2ASIGMAR1POLBEGFR |
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-2734524-B1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | ESTEVE LABOR DR (ES) | 2017-01-11 | — | — | EP | disclosed |