Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EP300 | Q09472 | 5/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | PBK | Q96KB5 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8259423 | 0.88 | EP300 (0.47) | EP300SMYD3PIM1PIM2NAMPT | |
| SCHEMBL8257982 | 0.82 | GAA (0.52) | EP300SMYD3NAMPTMEN1KMT2A | |
| SCHEMBL8258082 | 0.75 | HDAC3 (0.47) | EP300SMYD3NAMPT | |
| SCHEMBL8251857 | 0.75 | SCN9A (0.52) | SMYD3PIM1PIM2NAMPT | |
| SCHEMBL4592619 | 0.74 | ACKR3 (0.39) | SMYD3MEN1KMT2AGSK3B | |
| SCHEMBL8260076 | 0.74 | CHRNA7 (0.47) | EP300SMYD3PBK | |
| SCHEMBL8251721 | 0.74 | CHRNA7 (0.47) | EP300SMYD3 | |
| SCHEMBL14720114 | 0.73 | SMYD3 (0.58) | SMYD3NAMPTMEN1KMT2A | |
| SCHEMBL23491238 | 0.72 | HRH4 (0.40) | CHEK1 | |
| SCHEMBL8259426 | 0.71 | ALDH1A1 (0.55) | SMYD3MEN1KMT2APBK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| WO-2006114401-A2 | NOVEL CYCLIC AMINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | WO | disclosed |