Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 8/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | FURIN | P09958 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20017320 | 0.89 | KDM1A (0.54) | NOS3NOS2KDM1ALMNAESR1 | |
| SCHEMBL22043770 | 0.83 | CYP2D6 (0.50) | LMNAMAPTPKMHPGDFURIN | |
| SCHEMBL22044462 | 0.81 | NOS1 (0.52) | NOS3NOS2LMNAHTTPKM | |
| SCHEMBL23734498 | 0.78 | NOS1 (0.55) | NOS3NOS2CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL22044399 | 0.78 | NOS3 (0.55) | NOS3MAPTKMT2AGAAALDH1A1 | |
| SCHEMBL22044492 | 0.78 | NOS1 (0.53) | NOS3NOS2FURINTSHRSMN1; SMN2 | |
| SCHEMBL21901461 | 0.78 | SMN1; SMN2 (0.52) | NOS3NOS2MAPTHTTFURIN | |
| SCHEMBL22044390 | 0.76 | NOS1 (0.36) | NOS3NOS2LMNAHPGDFURIN | |
| SCHEMBL22044396 | 0.76 | PARP1 (0.50) | KDM1ALMNAMAPTFURINHSD17B10 | |
| SCHEMBL24465075 | 0.75 | TNF (0.36) | NOS3NOS2LMNAFURINNOS1 |
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 |