Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23829866 | 0.80 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL3697681 | 0.73 | — | — | |
| SCHEMBL10945544 | 0.73 | — | — | |
| SCHEMBL8869908 | 0.72 | CA2 (0.33) | ALDH1A1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL7359816 | 0.72 | MAPT (0.46) | ALDH1A1HPGDNOS2PTGS1PTGS2 | |
| SCHEMBL4649171 | 0.70 | — | — | |
| SCHEMBL10676908 | 0.70 | ALDH1A1 (0.38) | ALDH1A1KMT2A | |
| SCHEMBL2174113 | 0.70 | — | — | |
| SCHEMBL6296235 | 0.69 | LTB4R (0.33) | ALDH1A1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL765301 | 0.69 | — | — |
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-0863878-A1 | CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST MARION ROUSSEL, INC. (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997010218-A1 | CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST MARION ROUSSEL, INC. (US) | 1997-03-20 | — | — | WO | disclosed |