Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 14/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 14/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2233561 | 1.00 | CYP2D6 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL2233898 | 0.92 | OPRM1 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL414945 | 0.78 | SLC6A2 (0.58) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415150 | 0.77 | CYP2D6 (0.52) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL413046 | 0.77 | SLC6A2 (0.80) | CYP2D6SLC6A2SLC6A4SLC6A3HDAC3 | |
| SCHEMBL414142 | 0.77 | SLC6A2 (0.80) | CYP2D6SLC6A2SLC6A4SLC6A3HDAC3 | |
| SCHEMBL415124 | 0.77 | SLC6A2 (0.80) | CYP2D6SLC6A2SLC6A4SLC6A3HDAC3 | |
| SCHEMBL415165 | 0.75 | CYP2D6 (0.58) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL415149 | 0.74 | CYP2D6 (0.78) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415123 | 0.74 | CYP2D6 (0.78) | CYP2D6SLC6A2SLC6A4SLC6A3 |
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-2354124-A2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2011-08-10 | — | — | EP | disclosed |