Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.52 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3166127 | 0.92 | CYP2D6 (0.65) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3179723 | 0.86 | CYP2C19 (0.76) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL6205018 | 0.84 | CYP2D6 (0.57) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL27550438 | 0.84 | CYP2D6 (0.57) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL12093346 | 0.84 | POLB (0.60) | CYP2D6CYP3A4CYP2C19ALDH1A1TNKS2 | |
| SCHEMBL14782117 | 0.84 | CYP2D6 (0.57) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL39631 | 0.84 | DPP7 (0.73) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5758788 | 0.83 | DPP7 (0.71) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7000083 | 0.83 | DPP7 (0.71) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL4243253 | 0.82 | L3MBTL1 (0.53) | KMT2ACYP2D6CYP3A4CYP2C19ALDH1A1 |
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-2049118-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008011551-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-01-24 | — | — | WO | disclosed |