Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | HTR6 | P50406 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | KRAS | P01116 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3646517 | 0.95 | KDM4E (0.62) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL6402986 | 0.81 | MAPT (0.59) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL8722151 | 0.81 | KDM4E (0.70) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL8998008 | 0.80 | KDM4E (0.72) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL9780083 | 0.80 | HTT (0.69) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL7838197 | 0.79 | ALDH1A1 (0.63) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL7436988 | 0.78 | KDM4E (1.00) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL11227976 | 0.78 | KDM4E (0.70) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL11287080 | 0.78 | KDM4E (0.70) | KDM4EPOLBALDH1A1HTTTSHR | |
| SCHEMBL4921978 | 0.78 | KDM4E (0.70) | KDM4EPOLBALDH1A1HTTTSHR |
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-3820845-B1 | NOVEL, NEW GENERATION INHIBITOR COMPOUNDS SPECIFIC TO GST P1 ENZYME | HACETTEPE UENIVERSITESI (TR) | 2023-05-24 | — | — | EP | disclosed |