Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | PTGFR | P43088 | 1/20 | 0.31 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5016419 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HTTTSHRL3MBTL1LMNA | |
| SCHEMBL5013588 | 0.77 | HSD11B1 (0.42) | ALDH1A1HTTPTGDR2LMNACACNA1H | |
| SCHEMBL5012778 | 0.76 | TP53 (0.37) | ALDH1A1HTTLMNARAB9ACACNA1H | |
| SCHEMBL5013535 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HTTPTGDR2KDM4ERAB9A | |
| SCHEMBL5015096 | 0.73 | KMT2A (0.37) | ALDH1A1TSHRL3MBTL1LMNASIGMAR1 | |
| SCHEMBL5060789 | 0.69 | PTPN1 (0.41) | ALDH1A1KDM4ETMEM97 | |
| SCHEMBL5066934 | 0.67 | KMT2A (0.35) | LMNA | |
| SCHEMBL5011747 | 0.64 | KCNK3 (0.40) | ALDH1A1LMNA | |
| SCHEMBL5011764 | 0.64 | HTT (0.44) | ALDH1A1HTTTSHRL3MBTL1LMNA | |
| SCHEMBL5011651 | 0.64 | CHRM2 (0.44) | ALDH1A1TSHRL3MBTL1LMNAMAPK1 |
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-1910381-A2 | SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007000325-A2 | SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-01-04 | — | — | WO | disclosed |