Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5245606 | 0.89 | KMT2A (0.38) | KDM4EPPARGNCOA2KMT2ALMNA | |
| SCHEMBL316431 | 0.83 | KMT2A (0.42) | PPARGKMT2ALMNAALDH1A1MEN1 | |
| SCHEMBL5245278 | 0.81 | KMT2A (0.33) | KMT2ALMNAALDH1A1MEN1HTT | |
| SCHEMBL5245600 | 0.79 | KMT2A (0.44) | KDM4EPPARGNCOA2KMT2ALMNA | |
| SCHEMBL316821 | 0.78 | OPRM1 (0.46) | PPARGKMT2ALMNAALDH1A1MEN1 | |
| SCHEMBL315932 | 0.76 | LMNA (0.41) | KDM4EPPARGKMT2ALMNAALDH1A1 | |
| SCHEMBL316610 | 0.76 | OPRM1 (0.41) | PPARGKMT2ALMNAALDH1A1MEN1 | |
| SCHEMBL315482 | 0.75 | KMT2A (0.62) | KMT2ALMNAALDH1A1MEN1HTT | |
| SCHEMBL315905 | 0.74 | SIGMAR1 (0.43) | PPARGKMT2ALMNAMEN1MAPT | |
| SCHEMBL315989 | 0.71 | OPRM1 (0.44) | PPARGKMT2ALMNAALDH1A1MEN1 |
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-1745009-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110971-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |