Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24039028 | 0.84 | MAP4K4 (0.37) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL24038958 | 0.83 | PARP1 (0.41) | KDM4EPOLBKMT2AMEN1LMNA | |
| SCHEMBL30614560 | 0.80 | KDM4E (0.46) | KDM4EPOLBKMT2AMEN1LMNA | |
| SCHEMBL24039065 | 0.79 | KDM4E (0.36) | KDM4EMAPTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL1401499 | 0.78 | CA1 (0.58) | KDM4EPOLBKMT2AMEN1LMNA | |
| SCHEMBL22043790 | 0.77 | PRSS1 (0.33) | KMT2AMEN1GRIN2BNPC1RAB9A | |
| SCHEMBL22043785 | 0.77 | KDM4E (0.42) | KDM4EKMT2AMAPTGRIN2DGRIN3B | |
| SCHEMBL22043761 | 0.75 | FURIN (0.33) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL22043789 | 0.75 | HCAR1 (0.43) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL22043764 | 0.74 | CTSL (0.34) | — |
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-2020108720-A1 | NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING | Københavns Universitet (DK) | 2020-06-04 | — | — | WO | disclosed |