Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7458116 | 0.98 | ALDH1A1 (0.42) | ALDH1A1NPSR1TP53CTSKLMNA | |
| SCHEMBL7458108 | 0.98 | ALDH1A1 (0.42) | ALDH1A1NPSR1TP53CTSKLMNA | |
| SCHEMBL8095066 | 0.94 | ALDH1A1 (0.43) | ALDH1A1NPSR1TP53CTSKLMNA | |
| SCHEMBL8095064 | 0.94 | ALDH1A1 (0.43) | ALDH1A1NPSR1TP53CTSKLMNA | |
| SCHEMBL8435157 | 0.91 | SMN1; SMN2 (0.45) | ALDH1A1GAAMAPTMMP1MMP2 | |
| SCHEMBL8436042 | 0.91 | SMN1; SMN2 (0.45) | ALDH1A1GAAMAPTMMP1MMP2 | |
| SCHEMBL8438094 | 0.91 | ALDH1A1 (0.44) | ALDH1A1NPSR1TP53GAAMAPT | |
| SCHEMBL8438096 | 0.91 | ALDH1A1 (0.44) | ALDH1A1NPSR1TP53GAAMAPT | |
| SCHEMBL8436455 | 0.88 | GAA (0.40) | ALDH1A1GAAMAPTMMP1MMP2 | |
| SCHEMBL8435165 | 0.88 | ALDH1A1 (0.43) | ALDH1A1LMNAGAAMAPTMMP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008115381-A1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | SCHERING CORPORATION (US) | 2008-09-25 | — | — | WO | disclosed |
| US-6090802-A | BACTERICIDE | SANKYO COMPANY, LIMITED (JP) | 2000-07-18 | — | — | US | disclosed |
| EP-0882728-A1 | 1-METHYLCARBAPENEM DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-09 | — | — | EP | disclosed |