Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 6/20 | 0.59 |
| ▸ | THRB | P10828 | 4/20 | 0.36 |
| ▸ | RECQL | P46063 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | BLM | P54132 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 2/20 | 0.36 |
| ▸ | GSR | P00390 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL29427442 | 0.97 | ABCB1 (0.55) | ABCB1THRBRECQLTDP1MEN1 | |
| SCHEMBL27116237 | 0.93 | ABCB1 (0.56) | ABCB1THRBRECQLTDP1MEN1 | |
| SCHEMBL12844371 | 0.73 | ABCB1 (0.51) | ABCB1THRBRECQLTDP1MEN1 | |
| SCHEMBL24581468 | 0.71 | MEN1 (0.57) | ABCB1THRBRECQLTDP1MEN1 | |
| SCHEMBL27105521 | 0.69 | FPR2 (0.55) | THRBRECQLTDP1MEN1KMT2A | |
| SCHEMBL26221858 | 0.66 | MEN1 (0.31) | MEN1KMT2AALDH1A1 | |
| SCHEMBL26482396 | 0.66 | — | — | |
| Tetramethylrhodamine SCHEMBL2054818 | 0.64 | MEN1 (0.71) | ABCB1THRBRECQLTDP1MEN1 | |
| SCHEMBL10035120 | 0.64 | ABCB1 (0.61) | ABCB1THRBRECQLTDP1MEN1 | |
| SCHEMBL15216731 | 0.64 | ABCB1 (0.54) | ABCB1THRBRECQLTDP1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-4381284-A1 | LIGAND-TARGET INTERACTION ANALYSIS BY PHOTOCHEMICALLY INDUCED DYNAMIC NUCLEAR POLARIZATION (PHOTO-CIDNP) ENHANCED NMR SPECTROSCOPY | ETH Zurich (CH) | 2024-06-12 | — | — | EP | disclosed |
| WO-2023012203-A1 | LIGAND-TARGET INTERACTION ANALYSIS BY PHOTOCHEMICALLY INDUCED DYNAMIC NUCLEAR POLARIZATION (PHOTO-CIDNP) ENHANCED NMR SPECTROSCOPY | ETH ZURICH (CH) | 2023-02-09 | — | — | WO | disclosed |