Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22044393 | 0.80 | PKM (0.61) | PARP1HDAC1HDAC6GRIN2BPKM | |
| SCHEMBL22043792 | 0.79 | PARP1 (0.50) | PARP1HDAC6PKMKMT2AMEN1 | |
| SCHEMBL22044273 | 0.78 | GRIN2B (0.44) | GRIN2BPKMCES2CES1KMT2A | |
| SCHEMBL18891357 | 0.77 | KMT2A (0.48) | PARP1GRIN2BPKMKMT2AMEN1 | |
| SCHEMBL24022744 | 0.77 | PARP1 (0.52) | PARP1HDAC1HDAC6GRIN2BPKM | |
| SCHEMBL22043789 | 0.76 | HCAR1 (0.43) | GRIN2B | |
| SCHEMBL22043761 | 0.76 | FURIN (0.33) | GRIN2B | |
| SCHEMBL102455 | 0.76 | PARP1 (0.59) | PARP1HDAC1HDAC6GRIN2BPKM | |
| SCHEMBL102454 | 0.76 | PARP1 (0.59) | PARP1HDAC1HDAC6GRIN2BPKM | |
| SCHEMBL22043790 | 0.75 | PRSS1 (0.33) | GRIN2BPKMKMT2AMEN1ALDH1A1 |
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 |