Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL24022841 | 0.85 | NEU3 (0.46) | HDAC1HDAC6NEU3KLK1KLK5 | |
| SCHEMBL24022755 | 0.77 | NEU3 (0.46) | HDAC1HDAC6NEU3HDAC2GAA | |
| SCHEMBL22043785 | 0.76 | KDM4E (0.42) | HDAC1HDAC6NEU3CYP1A2CYP2C19 | |
| SCHEMBL22043759 | 0.76 | DGAT1 (0.46) | HDAC1HDAC6NEU3KLK1KLK5 | |
| SCHEMBL24022848 | 0.76 | HDAC1 (0.50) | HDAC1HDAC6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7902823 | 0.76 | HDAC1 (0.65) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL22043753 | 0.75 | EPHX2 (0.39) | HDAC1HDAC6NEU3RAB9AALDH1A1 | |
| SCHEMBL6106476 | 0.75 | HDAC1 (0.73) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL29808947 | 0.75 | HDAC1 (0.73) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL8367216 | 0.74 | HDAC1 (0.71) | HDAC1HDAC6CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |