Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6273809 | 0.90 | MAPT (0.52) | MAPK1KDM4EGAAHPGDTSHR | |
| SCHEMBL21601488 | 0.89 | KDM4E (0.55) | MAPK1KDM4EGAAHPGDTSHR | |
| SCHEMBL21601213 | 0.88 | KDM4E (0.49) | MAPK1KDM4EGAASMN1; SMN2LMNA | |
| SCHEMBL21601500 | 0.88 | KDM4E (0.49) | MAPK1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL19175612 | 0.88 | KDM4E (0.49) | MAPK1KDM4EGAAHPGDTSHR | |
| SCHEMBL4015052 | 0.88 | PDK2 (0.43) | MAPK1KDM4EGAAHPGDTSHR | |
| SCHEMBL16585199 | 0.88 | KDM4E (0.58) | KDM4EHPGDTSHRSMN1; SMN2NPC1 | |
| SCHEMBL29607100 | 0.85 | PDK2 (0.41) | MAPK1KDM4EGAAHPGDTSHR | |
| SCHEMBL19174940 | 0.83 | KDM4E (0.50) | MAPK1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL4009169 | 0.83 | RAB9A (0.55) | MAPK1GAAHPGDSMN1; SMN2NPC1 |
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 |