Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL18373434 | 0.77 | ALDH1A1 (0.42) | MEN1KMT2AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL18373410 | 0.76 | SIGMAR1 (0.54) | MEN1KMT2AKAT2BSIGMAR1POLB | |
| SCHEMBL14646740 | 0.76 | SIGMAR1 (0.54) | MEN1KMT2AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL18373453 | 0.76 | SIGMAR1 (0.54) | MEN1KMT2ASIGMAR1HPGD | |
| SCHEMBL15722185 | 0.76 | CYP1A2 (0.49) | MEN1KMT2AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL18373435 | 0.76 | SIGMAR1 (0.54) | MEN1KMT2ASIGMAR1HPGD | |
| SCHEMBL14653932 | 0.75 | SIGMAR1 (0.55) | MEN1KMT2ASIGMAR1HRH3 | |
| SCHEMBL12854738 | 0.72 | KDM4E (0.37) | MAP4K4KDM4EALDH1A1NPC1POLB | |
| SCHEMBL18373432 | 0.71 | SIGMAR1 (0.59) | MEN1KMT2AALDH1A1SIGMAR1HTT | |
| SCHEMBL18373452 | 0.71 | SIGMAR1 (0.59) | MEN1KMT2AALDH1A1SIGMAR1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013010950-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-01-24 | — | — | WO | disclosed |
| EP-2548878-A1 | Pyrazolo[3,4-d]pyrimidine compounds, their preparation and use as sigma ligands | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-01-23 | — | — | EP | disclosed |