Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21596090 | 0.86 | KDM4E (0.56) | KDM4EGAAMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21595706 | 0.84 | KDM4E (0.56) | KDM4EGAAMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21595924 | 0.83 | KDM4E (0.54) | KDM4EGAAMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21596073 | 0.83 | ALDH1A1 (0.48) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL21601500 | 0.83 | KDM4E (0.49) | KDM4EGAAMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL27164592 | 0.81 | FDPS (0.67) | KDM4EALDH1A1SMN1; SMN2LMNAFDPS | |
| SCHEMBL9799953 | 0.78 | MAPT (0.61) | KDM4EALDH1A1SMN1; SMN2PTGESMEN1 | |
| SCHEMBL1332214 | 0.76 | TDP1 (0.68) | KDM4ESMN1; SMN2MEN1KMT2ATDP1 | |
| SCHEMBL21595882 | 0.76 | HRH3 (0.58) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL21595943 | 0.76 | ALDH1A1 (0.54) | KDM4EALDH1A1SMN1; SMN2MRGPRX4S1PR4 |
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-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |