Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20178600 | 0.86 | AGTR1 (0.58) | AGTR1AGTR2SMPD1PPARATSHR | |
| SCHEMBL3565449 | 0.85 | MGLL (0.55) | AGTR1AGTR2HDAC3HDAC2SMPD1 | |
| SCHEMBL8442080 | 0.84 | PPARA (0.48) | SMPD1PPARAMEN1ALDH1A1KMT2A | |
| SCHEMBL850225 | 0.82 | PPARA (0.56) | AGTR1AGTR2SMPD1PPARATSHR | |
| SCHEMBL13098212 | 0.82 | ALOX5 (0.51) | SMPD1PPARAMEN1ALDH1A1KMT2A | |
| SCHEMBL10291100 | 0.81 | MGLL (0.57) | HDAC3HDAC2SMPD1PPARAMEN1 | |
| SCHEMBL15662455 | 0.80 | TSHR (0.43) | TSHR | |
| SCHEMBL7332411 | 0.79 | SMPD1 (0.63) | HDAC3HDAC2SMPD1PDE4APDE4B | |
| SCHEMBL11239964 | 0.79 | THRA (0.57) | SMPD1PDE4APDE4BPDE4CPDE4D | |
| Butylamine SCHEMBL27986173 | 0.78 | HDAC3 (0.53) | HDAC3HDAC2SMPD1ALDH1A1PDE4B |
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-2004096774-A1 | ACYL ISOINDOLINE DERIVATIVES AND ACYL ISOQUINOLINE DERIVATIVES AS ANTI-VIRAL AGENTS | GLAXO GROUP LIMITED (GB) | 2004-11-11 | — | — | WO | disclosed |