Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 8/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | PTGFR | P43088 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24022835 | 0.87 | HDAC1 (0.52) | ABCB1KIF11POLBABCC1KDM4E | |
| SCHEMBL29583356 | 0.80 | CYP17A1 (0.59) | ABCB1KIF11ABCC1 | |
| SCHEMBL15662716 | 0.76 | RARB (0.44) | KDM4E | |
| SCHEMBL25439850 | 0.74 | MAPT (0.43) | KIF11POLBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL22043758 | 0.72 | DGAT1 (0.49) | KDM4E | |
| SCHEMBL22147523 | 0.72 | FAAH (0.40) | KIF11KDM4E | |
| SCHEMBL22043741 | 0.72 | KDM4E (0.44) | KDM4E | |
| SCHEMBL22044253 | 0.72 | KDM4E (0.49) | KDM4E | |
| SCHEMBL24022756 | 0.72 | GAA (0.46) | — | |
| SCHEMBL22043784 | 0.72 | NPC1 (0.43) | POLBKDM4EALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3887359-A1 | NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING | Københavns Universitet (DK) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020108720-A1 | NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING | Københavns Universitet (DK) | 2020-06-04 | — | — | WO | disclosed |