Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27780643 | 0.77 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL8769172 | 0.77 | IDO1 (0.43) | ALDH1A1NPC1RAB9AIDO1MEN1 | |
| SCHEMBL14667493 | 0.76 | NPC1 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL7763107 | 0.72 | GRIN2B (0.47) | ALDH1A1CES1IDO1 | |
| SCHEMBL29253304 | 0.71 | CA2 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2CES1 | |
| SCHEMBL13721836 | 0.71 | NOS3 (0.52) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL6581901 | 0.71 | NOS3 (0.52) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL6581898 | 0.71 | NOS3 (0.52) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL678711 | 0.71 | MAPT (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL2047156 | 0.71 | NPC1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0792870-A1 | Process for the preparation of ketoximethers by coupling with boronic acid derivatives | Hoechst Schering AgrEvo GmbH (DE) | 1997-09-03 | — | — | EP | disclosed |