Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18181374 | 1.00 | ACHE (0.41) | ACHEMEN1KMT2AKDM1AMAOA | |
| SCHEMBL19999815 | 0.89 | KDM1A (0.44) | ACHEKDM1AMAOAS1PR1NPC1 | |
| SCHEMBL18181355 | 0.89 | KDM1A (0.42) | ACHEMEN1KMT2AKDM1AMAOA | |
| SCHEMBL18171792 | 0.87 | ACHE (0.39) | ACHEMEN1KMT2AKDM1AMAOA | |
| SCHEMBL18181100 | 0.87 | KDM1A (0.42) | ACHEMEN1KMT2AKDM1AMAOA | |
| SCHEMBL18181364 | 0.85 | KDM1A (0.46) | ACHEKDM1AMAOABCHE | |
| SCHEMBL21993369 | 0.84 | KDM1A (0.43) | ACHEMEN1KMT2AKDM1AMAOA | |
| SCHEMBL19999794 | 0.84 | KDM1A (0.43) | ACHEMEN1KMT2AKDM1AMAOA | |
| SCHEMBL18181047 | 0.84 | KDM1A (0.43) | ACHEMEN1KMT2AKDM1AMAOA | |
| SCHEMBL19999799 | 0.83 | KDM1A (0.40) | ACHEKMT2AKDM1AMAOABCHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-3286166-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2020-05-13 | — | — | EP | disclosed |