Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.43 |
| ▸ | FURIN | P09958 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22043777 | 0.81 | PARP1 (0.53) | PARP1LMNATDP1 | |
| SCHEMBL24022744 | 0.80 | PARP1 (0.52) | PARP1FURINALDH1A1NOS1CTSL | |
| SCHEMBL750859 | 0.76 | KDM1A (0.59) | PARP1KDM4EEGLN2CA12CA2 | |
| SCHEMBL29478714 | 0.76 | KDM1A (0.59) | PARP1KDM4EEGLN2CA12CA2 | |
| SCHEMBL8820938 | 0.76 | KDM1A (0.59) | PARP1KDM4EEGLN2CA12CA2 | |
| SCHEMBL750858 | 0.76 | KDM1A (0.59) | PARP1KDM4EEGLN2CA12CA2 | |
| SCHEMBL31748645 | 0.76 | KDM1A (0.59) | PARP1KDM4EEGLN2CA12CA2 | |
| SCHEMBL22043774 | 0.76 | NOS3 (0.48) | GAAMAPTFURINCA12CA2 | |
| SCHEMBL16710523 | 0.71 | KDM4E (0.56) | PARP1KDM4EGAAMAPTEGLN2 | |
| SCHEMBL2486233 | 0.71 | CA12 (0.56) | PARP1KDM4EGAAMAPTEGLN2 |
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 |