Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL2463503 | 0.86 | TDP1 (0.44) | LMNAKDM4ECYP3A4ALDH1A1L3MBTL1 | |
| SCHEMBL13185473 | 0.83 | — | — | |
| SCHEMBL487201 | 0.78 | KDM4E (0.56) | NOS2NOS3NOS1CNR1CNR2 | |
| SCHEMBL12826953 | 0.78 | CCR1 (0.44) | NOS2NOS3NOS1CNR1CNR2 | |
| SCHEMBL26272350 | 0.78 | ESR1 (0.38) | NOS2NOS3NOS1HDAC8LOX | |
| SCHEMBL487318 | 0.77 | UHRF1 (0.48) | NOS2NOS3NOS1CNR1CNR2 | |
| SCHEMBL2619306 | 0.77 | CYP1A2 (0.47) | NOS2NOS3NOS1CNR1CNR2 | |
| SCHEMBL27918778 | 0.76 | LNPEP (0.37) | LMNAKDM4ECYP3A4TLR8ALDH1A1 | |
| SCHEMBL4438687 | 0.75 | RECQL (0.59) | NOS2NOS3NOS1CNR1CNR2 | |
| SCHEMBL294326 | 0.75 | NOS2 (0.39) | NOS2NOS3NOS1CNR1CNR2 |
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-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |