Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22044250 | 0.85 | SMN1; SMN2 (0.44) | ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL24022844 | 0.82 | CYP2D6 (0.45) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL22044394 | 0.77 | RECQL (0.45) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL24022845 | 0.73 | RAB9A (0.50) | ACHEALDH1A1CYP3A4LMNAKMT2A | |
| SCHEMBL22043779 | 0.71 | CYP2D6 (0.47) | ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL2190365 | 0.71 | ACHE (0.59) | ACHEALDH1A1CYP3A4TSHRHTT | |
| SCHEMBL22043792 | 0.69 | PARP1 (0.50) | SMN1; SMN2LMNAKMT2APOLBL3MBTL1 | |
| SCHEMBL24038968 | 0.69 | NPC1 (0.41) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL16951038 | 0.68 | ACHE (0.60) | ACHEALDH1A1CYP3A4SMN1; SMN2LMNA | |
| Methylamine SCHEMBL15398524 | 0.67 | ACHE (0.90) | ACHEALDH1A1CYP3A4SMN1; SMN2KMT2A |
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 |