Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL2233561 | 0.92 | CYP2D6 (0.48) | OPRM1OPRD1TSHRCYP2D6SLC6A2 | |
| SCHEMBL2233554 | 0.92 | CYP2D6 (0.48) | OPRM1OPRD1TSHRCYP2D6SLC6A2 | |
| SCHEMBL413137 | 0.76 | CYP2D6 (0.69) | OPRM1L3MBTL1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL1972786 | 0.75 | SLC6A2 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL414185 | 0.73 | SLC6A2 (0.67) | CYP2D6SLC6A2SLC6A4SLC6A3DAO | |
| SCHEMBL415414 | 0.73 | HSD17B10 (0.42) | HTTCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1691947 | 0.71 | SLC6A4 (0.52) | CYP2D6SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL415298 | 0.69 | SLC6A4 (0.65) | OPRM1OPRD1TSHRCYP2D6SLC6A2 | |
| SCHEMBL413046 | 0.69 | SLC6A2 (0.80) | CYP2D6SLC6A2SLC6A4SLC6A3RAB9A | |
| SCHEMBL414142 | 0.69 | SLC6A2 (0.80) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| EP-2354124-A2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2011-08-10 | — | — | EP | disclosed |