Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 7/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | HTT | P42858 | 6/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18546536 | 0.88 | NR1I2 (0.42) | NR1I2KDM4ESMN1; SMN2KMT2ALMNA | |
| SCHEMBL18546298 | 0.84 | KCNH2 (0.39) | NR1I2KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL18944215 | 0.84 | NR1I2 (0.36) | NR1I2KDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL18546300 | 0.82 | NR1I2 (0.41) | NR1I2SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL18664243 | 0.81 | NR1I2 (0.36) | NR1I2KDM4EHPGDALDH1A1HTT | |
| SCHEMBL18546587 | 0.81 | NR1I2 (0.39) | NR1I2KDM4EHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL18944148 | 0.79 | NR1I2 (0.38) | NR1I2 | |
| SCHEMBL18663914 | 0.78 | NR1I2 (0.37) | NR1I2 | |
| SCHEMBL18546235 | 0.78 | NR1I2 (0.54) | NR1I2CYP3A4 | |
| SCHEMBL19263639 | 0.76 | NR1I2 (0.39) | NR1I2KDM4EMAPTTSHRPDE4A |
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-2017029631-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2017-02-23 | — | — | WO | disclosed |