Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 7/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20257403 | 0.93 | L3MBTL1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4FAAH | |
| SCHEMBL20241404 | 0.93 | AKT1 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4SIRT2 | |
| SCHEMBL20257405 | 0.90 | MEN1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4FAAH | |
| SCHEMBL20257434 | 0.88 | L3MBTL1 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4FAAH | |
| SCHEMBL20257512 | 0.87 | EPHX1 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4FAAH | |
| SCHEMBL20241396 | 0.86 | AKT1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4SIRT2 | |
| SCHEMBL20241812 | 0.85 | AKT1 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA4FAAH | |
| SCHEMBL20241617 | 0.84 | AKT1 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4FAAH | |
| SCHEMBL20257432 | 0.83 | NPY1R (0.38) | FAAHL3MBTL1KMT2A | |
| SCHEMBL20242089 | 0.83 | FAAH (0.41) | FAAHL3MBTL1 |
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-2018106519-A1 | HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-14 | — | — | WO | disclosed |