Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 4/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | IAPP | P10997 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566357 | 1.00 | KDM4E (0.47) | KDM4EGLAGAATDP1CYP1A2 | |
| SCHEMBL4379866 | 0.81 | GLA (0.46) | KDM4EGLAGAATDP1CYP1A2 | |
| SCHEMBL4379857 | 0.81 | GLA (0.46) | KDM4EGLAGAATDP1CYP1A2 | |
| SCHEMBL1004806 | 0.80 | GAA (0.42) | KDM4EGLAGAACYP1A2HTT | |
| SCHEMBL1004436 | 0.80 | GAA (0.42) | KDM4EGLAGAACYP1A2HTT | |
| SCHEMBL1004435 | 0.80 | GAA (0.42) | KDM4EGLAGAACYP1A2HTT | |
| SCHEMBL1004764 | 0.79 | GAA (0.53) | KDM4EGLAGAATDP1CYP1A2 | |
| SCHEMBL13658742 | 0.78 | NAMPT (0.49) | KDM4ELMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL7497480 | 0.77 | GAA (0.51) | KDM4EGLAGAATDP1CYP1A2 | |
| SCHEMBL70624 | 0.75 | GAA (0.67) | KDM4EGLAGAATDP1CYP1A2 |
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-2009125191-A1 | BENZENE DERIVATIVES | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2009-10-15 | — | — | WO | disclosed |