Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4138221 | 0.90 | GPR183 (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL5254943 | 0.83 | NPC1 (0.38) | NPC1RAB9AEPHX2S1PR5SMN1; SMN2 | |
| SCHEMBL5255317 | 0.82 | HHAT (0.33) | — | |
| SCHEMBL5255311 | 0.82 | HHAT (0.33) | — | |
| SCHEMBL4696597 | 0.76 | NPC1 (0.35) | NPC1RAB9AEPHX2GRIN2BSMN1; SMN2 | |
| SCHEMBL5187275 | 0.76 | GPR183 (0.39) | NPC1RAB9AALDH1A1 | |
| SCHEMBL3305431 | 0.75 | LMNA (0.34) | NPC1RAB9AEPHX2S1PR5SMN1; SMN2 | |
| SCHEMBL4695600 | 0.74 | KEAP1 (0.40) | NPC1RAB9A | |
| SCHEMBL5185290 | 0.73 | HHAT (0.34) | — | |
| SCHEMBL4696326 | 0.73 | AGTR2 (0.33) | AGTR2 |
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-1569935-B1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2008-08-20 | — | — | EP | disclosed |
| EP-1798231-A2 | Intermediate products for the preparation of antibacterial compounds | NOVEXEL (FR) | 2007-06-20 | — | — | EP | disclosed |