Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SPR | P35270 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL415621 | 0.85 | CYP2D6 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3MEN1 | |
| SCHEMBL415219 | 0.76 | SLC6A2 (0.63) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL444317 | 0.75 | SLC6A2 (0.61) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL413350 | 0.75 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3MEN1 | |
| SCHEMBL16453921 | 0.72 | CYP4F2 (0.34) | MEN1KMT2A | |
| SCHEMBL16453920 | 0.69 | CYP4F2 (0.39) | P4HBALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL17707487 | 0.67 | CYP2D6 (0.31) | CYP2D6SLC6A2SLC6A4SLC6A3SPR | |
| SCHEMBL414185 | 0.67 | SLC6A2 (0.67) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL18597661 | 0.67 | SLC6A2 (0.51) | CYP2D6SLC6A2SLC6A4SLC6A3P4HB | |
| SCHEMBL31388169 | 0.66 | ACKR3 (0.52) | CYP2D6SLC6A2SLC6A4SLC6A3RAB9A |
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 |