Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.49 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.49 |
| ▸ | ITGAV | P06756 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.49 |
| ▸ | ITGAL | P20701 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL5481415 | 0.84 | NPSR1 (0.45) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL6990768 | 0.81 | NPSR1 (0.44) | NPSR1ALDH1A1LMNASIGMAR1CTSD | |
| SCHEMBL27972516 | 0.79 | CTSD (0.48) | NPSR1ALDH1A1LMNACTSD | |
| SCHEMBL5476708 | 0.76 | NPSR1 (0.46) | NPSR1ALDH1A1LMNAKDM1A | |
| SCHEMBL10642101 | 0.75 | NPSR1 (0.40) | NPSR1ALDH1A1LMNA | |
| SCHEMBL9745453 | 0.75 | ALDH1A1 (0.59) | NPSR1ALDH1A1LMNASIGMAR1GAA | |
| SCHEMBL9745446 | 0.75 | ALDH1A1 (0.59) | NPSR1ALDH1A1LMNASIGMAR1GAA | |
| SCHEMBL9745628 | 0.75 | ALDH1A1 (0.59) | NPSR1ALDH1A1LMNASIGMAR1GAA | |
| SCHEMBL10642654 | 0.74 | SMN1; SMN2 (0.47) | NPSR1ALDH1A1L3MBTL1GAA | |
| SCHEMBL10638158 | 0.74 | NPSR1 (0.42) | NPSR1ALDH1A1LMNAL3MBTL1KDM1A |
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-1326829-A2 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002026706-A2 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2002-04-04 | — | — | WO | disclosed |