Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 4/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16907678 | 0.85 | GSTP1 (0.48) | GSTP1GSTM2TSHRAPPIDO1 | |
| SCHEMBL16907548 | 0.81 | CA1 (0.47) | GSTP1GSTM2TSHRAPPSMN1; SMN2 | |
| SCHEMBL22705031 | 0.80 | CYP1A2 (0.40) | TSHRAPPIDO1LMNAMAPT | |
| SCHEMBL298137 | 0.79 | GSTP1 (0.72) | GSTP1GSTM2IDO1 | |
| SCHEMBL7298052 | 0.73 | POLB (0.65) | TSHRAPPIDO1LMNAMAPT | |
| SCHEMBL22689283 | 0.71 | ALDH1A1 (0.45) | LMNAMAPTL3MBTL1KMT2AHPGD | |
| SCHEMBL22704877 | 0.71 | SMN1; SMN2 (0.36) | IDO1LMNAMAPTHPGDCYP1A2 | |
| SCHEMBL7291905 | 0.70 | CYP1A2 (0.45) | TSHRAPPIDO1KMT2AMAOA | |
| SCHEMBL13457191 | 0.70 | CYP1A2 (0.45) | TSHRAPPIDO1LMNAMAPT | |
| SCHEMBL10687383 | 0.70 | APP (0.58) | TSHRAPPIDO1LMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020234424-A1 | BENZO[C][1,2,5]OXADIAZOLE FOR THE TREATMENT OF DISEASES CAUSED BY HELICOBACTER | UNIVERSIDAD DE ZARAGOZA (ES) | 2020-11-26 | — | — | WO | disclosed |
| WO-2015104433-A1 | BENZO[C][1,2,5]OXADIAZOLE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER | UNIVERSIDAD DE ZARAGOZA (ES) | 2015-07-16 | — | — | WO | disclosed |