Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | PIR | O00625 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8511891 | 0.91 | KDM4E (0.54) | KDM4EMAPTALDH1A1ALOX15ACHE | |
| SCHEMBL6983698 | 0.84 | KDM4E (0.62) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL6986243 | 0.84 | KDM4E (0.62) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL3096482 | 0.83 | MAPT (0.73) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL29673258 | 0.81 | KDM4E (1.00) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL45202 | 0.81 | KDM4E (1.00) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL28039955 | 0.80 | MAPT (0.73) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL12486871 | 0.80 | KDM4E (0.73) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL30011603 | 0.80 | KDM4E (0.73) | KDM4EMAPTALDH1A1GAAALOX15 | |
| SCHEMBL29995197 | 0.79 | MAPT (0.68) | KDM4EMAPTALDH1A1GAAALOX15 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588458-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-08 | — | — | EP | claimed |
| WO-2012001020-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-05 | — | — | WO | claimed |
| EP-4381284-B1 | LIGAND-TARGET INTERACTION ANALYSIS BY PHOTOCHEMICALLY INDUCED DYNAMIC NUCLEAR POLARIZATION (PHOTO-CIDNP) ENHANCED NMR SPECTROSCOPY | ETH ZUERICH (CH) | 2025-07-09 | — | — | EP | disclosed |
| US-20240345008-A1 | LIGAND-TARGET INTERACTION ANALYSIS BY PHOTOCHEMICALLY INDUCED DYNAMIC NUCLEAR POLARIZATION (PHOTO-CIDNP) ENHANCED NMR SPECTROSCOPY | ETH ZURICH (CH) | 2024-10-17 | — | — | US | disclosed |
| EP-2588458-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012001020-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-05 | — | — | WO | disclosed |