Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13255365 | 0.88 | SMN1; SMN2 (0.41) | PDE4APDE4BPDE4CPDE4DPDCD1 | |
| SCHEMBL13255361 | 0.84 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL13255341 | 0.83 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DSMN1; SMN2 | |
| SCHEMBL14046370 | 0.79 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL13255343 | 0.74 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DSMN1; SMN2 | |
| SCHEMBL13283180 | 0.74 | ALDH1A1 (0.42) | PDE4APDE4BPDE4CPDE4DSMN1; SMN2 | |
| SCHEMBL13255388 | 0.72 | SMN1; SMN2 (0.42) | PDCD1CD274GAACYP2C19SMN1; SMN2 | |
| SCHEMBL13255339 | 0.71 | RNASEH1 (0.44) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13255363 | 0.71 | HPGD (0.45) | SMN1; SMN2RAB9APOLBKDM4E | |
| SCHEMBL13255352 | 0.71 | MAOB (0.39) | PDE4APDE4BPDE4CPDE4D |
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-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| EP-2033952-A1 | Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity | Shionogi&Co., Ltd. (JP) | 2009-03-11 | — | — | EP | disclosed |