Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL442772 | 0.96 | KMT2A (0.46) | KMT2AHRH4NAMPTFLT3MEN1 | |
| SCHEMBL413316 | 0.86 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL17707499 | 0.82 | KMT2A (0.51) | KMT2AHRH4FLT3MEN1KDM4E | |
| SCHEMBL415595 | 0.80 | HRH4 (0.58) | KMT2AHRH4FLT3MEN1KDM4E | |
| SCHEMBL443675 | 0.78 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL442245 | 0.75 | CYP2D6 (0.75) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL4824070 | 0.74 | HRH4 (0.66) | KMT2AHRH4MEN1KDM4EMAPT | |
| SCHEMBL441824 | 0.73 | CYP2D6 (0.68) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL11960288 | 0.71 | MLLT1 (0.64) | KMT2AHRH4MEN1BRD3 | |
| SCHEMBL445020 | 0.70 | NOD2 (0.42) | — |
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-2102157-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008074703-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-26 | — | — | WO | disclosed |