Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1738636 | 0.82 | SIGMAR1 (0.57) | SIGMAR1POLBKDM1AKMT2AKDM4E | |
| SCHEMBL1740580 | 0.79 | SIGMAR1 (0.58) | SIGMAR1POLBKDM1APARP1CRHBP | |
| SCHEMBL1739916 | 0.70 | SIGMAR1 (0.62) | SIGMAR1LMNAALDH1A1KCNH2 | |
| SCHEMBL1737581 | 0.69 | SIGMAR1 (0.49) | SIGMAR1POLBKMT2AKDM4ENPC1 | |
| SCHEMBL27205423 | 0.68 | PRKDC (0.51) | KMT2AKDM4ENPC1LMNARAB9A | |
| SCHEMBL1711070 | 0.65 | SIGMAR1 (1.00) | SIGMAR1POLBKMT2AHTT | |
| SCHEMBL1738810 | 0.65 | SIGMAR1 (0.72) | SIGMAR1 | |
| SCHEMBL19597688 | 0.65 | POLB (0.59) | SIGMAR1POLBKMT2AKDM4ELMNA | |
| SCHEMBL12123858 | 0.64 | HTR7 (0.79) | KMT2AHTR7ALDH1A1MAPT | |
| SCHEMBL28271200 | 0.63 | POLB (0.56) | SIGMAR1POLBKMT2AKDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2395003-A1 | Pyrazole compounds as sigma receptor inhibitors | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-12-14 | — | — | EP | claimed |
| EP-2395003-A1 | Pyrazole compounds as sigma receptor inhibitors | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-12-14 | — | — | EP | disclosed |