Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | RARA | P10276 | 2/20 | 0.36 |
| ▸ | RARG | P13631 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 4/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22043759 | 0.90 | DGAT1 (0.46) | NEU3HDAC1HDAC6DGAT1CES2 | |
| SCHEMBL24022755 | 0.85 | NEU3 (0.46) | EPHX2NR1H4NEU3HDAC1HDAC6 | |
| SCHEMBL22043785 | 0.83 | KDM4E (0.42) | NEU3HDAC1HDAC6ALDH1A1HPGD | |
| SCHEMBL9902629 | 0.80 | KDM1A (0.42) | EPHX2NR1H4HDAC1HDAC6RARB | |
| SCHEMBL19014876 | 0.80 | KDM1A (0.42) | EPHX2NR1H4HDAC1HDAC6RARB | |
| SCHEMBL24022848 | 0.77 | HDAC1 (0.50) | HDAC1HDAC6ALDH1A1HSD17B10LMNA | |
| SCHEMBL24022830 | 0.76 | MKNK1 (0.38) | NEU3ALDH1A1HPGDLMNAHTT | |
| SCHEMBL392941 | 0.76 | DGAT1 (0.48) | EPHX2NR1H4RARBRARARARG | |
| SCHEMBL24022836 | 0.75 | HDAC1 (0.62) | NEU3HDAC1HDAC6MAPK1ALDH1A1 | |
| SCHEMBL24022845 | 0.73 | RAB9A (0.50) | MAPK1ALDH1A1LMNAHTTRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021228992-A1 | NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY | RIGSHOSPITALET (DK) | 2021-11-18 | — | — | WO | disclosed |
| EP-3909944-A1 | NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY | Rigshospitalet (DK) | 2021-11-17 | — | — | EP | disclosed |
| WO-2020108720-A1 | NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING | Københavns Universitet (DK) | 2020-06-04 | — | — | WO | disclosed |