Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | 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 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24022755 | 0.85 | NEU3 (0.46) | KDM4EGAANEU3HDAC1HDAC6 | |
| SCHEMBL22043759 | 0.85 | DGAT1 (0.46) | KMT2ANEU3HDAC1HDAC6 | |
| SCHEMBL22043753 | 0.83 | EPHX2 (0.39) | ALDH1A1HSD17B10HPGDNEU3HDAC1 | |
| SCHEMBL8401255 | 0.82 | KDM4E (0.47) | KDM4EALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL406865 | 0.82 | KDM4E (0.47) | KDM4EALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL406864 | 0.82 | KDM4E (0.47) | KDM4EALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL24022845 | 0.78 | RAB9A (0.50) | ALDH1A1MAPTKMT2ACYP1A2CYP2C19 | |
| SCHEMBL22044403 | 0.77 | KDM4E (0.44) | KDM4EALDH1A1GAAMAPTATM | |
| SCHEMBL523320 | 0.76 | KDM4E (0.62) | KDM4EALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL24022836 | 0.76 | HDAC1 (0.62) | KDM4EALDH1A1GAAMAPTCYP1A2 |
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 |