Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24039028 | 0.84 | MAP4K4 (0.37) | PARP1CES2CES1KDM4EALDH1A1 | |
| SCHEMBL24038700 | 0.83 | PARP1 (0.41) | PARP1PKMKDM4EMEN1ALDH1A1 | |
| SCHEMBL22044403 | 0.83 | KDM4E (0.44) | PKMKDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL22043761 | 0.81 | FURIN (0.33) | — | |
| SCHEMBL22043789 | 0.81 | HCAR1 (0.43) | HCAR1 | |
| SCHEMBL22044467 | 0.80 | TAS1R3 (0.34) | — | |
| SCHEMBL22043790 | 0.80 | PRSS1 (0.33) | PKMMEN1ALDH1A1HTTKMT2A | |
| SCHEMBL22043764 | 0.80 | CTSL (0.34) | — | |
| SCHEMBL22044471 | 0.78 | PAX8 (0.39) | CES2PKMLMNAPOLBMAPT | |
| SCHEMBL7077548 | 0.78 | PARP1 (0.60) | PARP1CES2CES1POLBMAPT |
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 1 patent. 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 |