Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL413992 | 0.85 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL413990 | 0.82 | CYP2D6 (0.68) | CYP2D6SLC6A2SLC6A4SLC6A3MGAM | |
| SCHEMBL31388159 | 0.81 | CYP2D6 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3GAA | |
| Hydrochloric Acid SCHEMBL445019 | 0.81 | CYP2D6 (0.67) | CYP2D6SLC6A2SLC6A4SLC6A3MGAM | |
| SCHEMBL12585782 | 0.67 | CYP2D6 (0.82) | CYP2D6SLC6A2SLC6A4SLC6A3MGAM | |
| SCHEMBL415120 | 0.67 | CYP2D6 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3MGAM | |
| Quinaldic Acid SCHEMBL17255915 | 0.66 | MGAM (0.82) | MGAMGAAALDH1A1MAPTCNR2 | |
| SCHEMBL28665600 | 0.65 | MGAM (0.58) | MGAMGAAALDH1A1MAPTCNR2 | |
| SCHEMBL5239212 | 0.65 | KDM4E (0.68) | SLC6A4TSHRALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL29931500 | 0.65 | KDM4E (0.68) | SLC6A4TSHRALDH1A1RAB9ASMN1; SMN2 |
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-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |