Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24022832 | 0.85 | PRSS1 (0.43) | NPC1RAB9AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL24039065 | 0.83 | KDM4E (0.36) | NPC1RAB9AATMKDM4EMAPT | |
| SCHEMBL24038700 | 0.78 | PARP1 (0.41) | NPC1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL22043790 | 0.78 | PRSS1 (0.33) | NPC1RAB9AMEN1KMT2AGRIN2B | |
| SCHEMBL24022753 | 0.74 | HDAC8 (0.36) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL22043792 | 0.72 | PARP1 (0.50) | NPC1RAB9AATMMEN1KMT2A | |
| SCHEMBL22044394 | 0.71 | RECQL (0.45) | NPC1RAB9AMAPTGRIN2DGRIN3B | |
| SCHEMBL22043779 | 0.71 | CYP2D6 (0.47) | NPC1RAB9AATMMAPTMEN1 | |
| SCHEMBL19828394 | 0.71 | PARP1 (0.56) | NPC1RAB9AATMMEN1KMT2A | |
| SCHEMBL12127561 | 0.71 | ALDH1A1 (0.42) | NPC1RAB9AATMPDE4APDE4B |
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 |