Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21595706 | 0.87 | KDM4E (0.56) | KDM4EMAPK1GAATDP1HPGD | |
| SCHEMBL21595952 | 0.87 | KDM4E (0.68) | KDM4EMAPK1GAATDP1MAPT | |
| SCHEMBL6238712 | 0.86 | TDP1 (0.61) | KDM4EMAPK1GAATDP1MAPT | |
| SCHEMBL21595924 | 0.86 | KDM4E (0.54) | KDM4EMAPK1GAATDP1SMN1; SMN2 | |
| SCHEMBL21595889 | 0.86 | KDM4E (0.54) | KDM4EMAPK1GAATDP1SMN1; SMN2 | |
| SCHEMBL21595734 | 0.86 | KDM4E (0.51) | KDM4EMAPK1GAATDP1MAPT | |
| SCHEMBL16585308 | 0.86 | KDM4E (0.72) | KDM4ETDP1MAPTHPGDTSHR | |
| SCHEMBL9163492 | 0.84 | KDM4E (0.57) | KDM4EMAPK1GAATDP1SMN1; SMN2 | |
| SCHEMBL21601484 | 0.82 | MAPK1 (0.51) | KDM4EMAPK1GAATDP1MAPT | |
| SCHEMBL9158338 | 0.81 | LTA4H (0.53) | KDM4EMAPK1TDP1MAPTLMNA |
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 |