Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 8/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL686726 | 0.86 | KDM4E (0.46) | KDM4EEGFRABCG2KDRTSHR | |
| SCHEMBL26313476 | 0.79 | PARP1 (0.49) | PARP1KDM4EEGFRADRB2NCF1 | |
| SCHEMBL27461883 | 0.79 | PARP1 (0.49) | PARP1KDM4EEGFRADRB2NCF1 | |
| SCHEMBL26090047 | 0.79 | PARP1 (0.49) | PARP1KDM4EEGFRADRB2NCF1 | |
| SCHEMBL29416609 | 0.79 | PARP1 (0.49) | PARP1KDM4EEGFRADRB2NCF1 | |
| SCHEMBL857761 | 0.79 | PARP1 (0.49) | PARP1KDM4EEGFRADRB2NCF1 | |
| SCHEMBL28066432 | 0.77 | EGFR (0.37) | PARP1EGFRKDR | |
| SCHEMBL1766094 | 0.76 | CSF1R (0.42) | KDM4EEGFRABCG2MAP4K4FGFR1 | |
| SCHEMBL31549968 | 0.76 | CSF1R (0.42) | KDM4EEGFRABCG2MAP4K4FGFR1 | |
| SCHEMBL2345433 | 0.75 | ADRB2 (0.51) | PARP1KDM4EADRB2NCF1PKM |
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-0782570-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009294-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |