Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17600716 | 0.85 | KDM4E (0.51) | KDM4EHPGDCYP3A4CYP2C19NAMPT | |
| SCHEMBL17600712 | 0.85 | KDM4E (0.51) | KDM4EHPGDCYP3A4CYP2C19NAMPT | |
| SCHEMBL4537548 | 0.79 | TSHR (0.46) | KDM4EHPGDNAMPTALDH1A1TSHR | |
| SCHEMBL8060028 | 0.79 | HTR7 (0.61) | KDM4ECYP3A4 | |
| SCHEMBL8069484 | 0.78 | PSEN1 (0.62) | HPGDCYP3A4ALDH1A1POLBTSHR | |
| SCHEMBL8051860 | 0.78 | RAB9A (0.53) | KDM4EHPGDALDH1A1GAAPOLB | |
| SCHEMBL31107088 | 0.77 | CASP3 (0.57) | KDM4EHPGDCYP3A4CYP2C19NAMPT | |
| SCHEMBL8051885 | 0.75 | BDKRB1 (0.53) | CYP3A4ALDH1A1POLB | |
| SCHEMBL5400491 | 0.75 | TSHR (0.59) | HPGDALDH1A1GAAPOLBTSHR | |
| Trifluoroacetic Acid SCHEMBL4542932 | 0.74 | EPHX2 (0.42) | KDM4ECYP3A4CYP2C19NAMPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009070497-A1 | SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-04 | — | — | WO | disclosed |