Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 4/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | FURIN | P09958 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | 0.85 | PKM (0.61) | PARP1GRIN2BPKMMEN1ALDH1A1 | |
| SCHEMBL22044396 | 0.80 | PARP1 (0.50) | PARP1ALDH1A1CTSLFURINNOS1 | |
| SCHEMBL22043777 | 0.80 | PARP1 (0.53) | PARP1PKMMEN1KMT2AHDAC6 | |
| SCHEMBL22044405 | 0.77 | PARP1 (0.50) | PARP1GRIN2BPKMMEN1ALDH1A1 | |
| SCHEMBL102455 | 0.77 | PARP1 (0.59) | PARP1GRIN2BPKMMEN1ALDH1A1 | |
| SCHEMBL102454 | 0.77 | PARP1 (0.59) | PARP1GRIN2BPKMMEN1ALDH1A1 | |
| SCHEMBL22044462 | 0.77 | NOS1 (0.52) | GRIN2BPKMKMT2ACES2CES1 | |
| Hydrochloric Acid SCHEMBL9828825 | 0.74 | PARP1 (0.55) | PARP1GRIN2BPKMMEN1ALDH1A1 | |
| SCHEMBL8761571 | 0.72 | CES2 (0.60) | PARP1MEN1ALDH1A1KMT2ACES2 | |
| SCHEMBL18620052 | 0.72 | PARP1 (0.52) | PARP1GRIN2BPKMMEN1ALDH1A1 |
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 2 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 |