Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24022753 | 0.87 | HDAC8 (0.36) | HDAC8HDAC6PLAUNEU3NPC1 | |
| SCHEMBL24038958 | 0.84 | PARP1 (0.41) | KDM4ECES2CES1ALDH1A1PARP1 | |
| SCHEMBL22044403 | 0.84 | KDM4E (0.44) | KDM4ENPC1RAB9ACA2HPGD | |
| SCHEMBL22043790 | 0.78 | PRSS1 (0.33) | NPC1RAB9AALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL22043761 | 0.76 | FURIN (0.33) | — | |
| SCHEMBL22043789 | 0.76 | HCAR1 (0.43) | — | |
| SCHEMBL24022755 | 0.76 | NEU3 (0.46) | MAP4K4HDAC8HDAC6PLAUNEU3 | |
| SCHEMBL22044467 | 0.75 | TAS1R3 (0.34) | — | |
| SCHEMBL22043764 | 0.75 | CTSL (0.34) | — | |
| SCHEMBL114726 | 0.75 | CES2 (0.54) | MAP4K4HDAC8HDAC6PLAUNPC1 |
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 |