Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27867566 | 0.84 | ALDH1A1 (0.39) | ALDH1A1HTTCYP3A4TDP1POLB | |
| SCHEMBL231178 | 0.81 | KDM4E (0.42) | ALDH1A1HTTCYP3A4TDP1POLB | |
| SCHEMBL8182516 | 0.78 | KMT2A (0.38) | ALDH1A1HTTCYP3A4TDP1LMNA | |
| SCHEMBL27773763 | 0.78 | TSHR (0.39) | ALDH1A1CYP3A4TDP1KCNJ1KCNH2 | |
| SCHEMBL458041 | 0.77 | POLB (0.43) | ALDH1A1HTTCYP3A4TDP1POLB | |
| SCHEMBL5742336 | 0.77 | HTT (0.38) | ALDH1A1HTTCYP3A4TDP1LMNA | |
| SCHEMBL7831019 | 0.77 | KCNH2 (0.43) | ALDH1A1TDP1KCNH2CYP1A2CYP19A1 | |
| SCHEMBL11286333 | 0.77 | TSHR (0.45) | ALDH1A1CYP3A4TDP1LMNATSHR | |
| SCHEMBL6377117 | 0.74 | TSHR (0.49) | ALDH1A1CYP3A4TDP1LMNATSHR | |
| SCHEMBL7304803 | 0.74 | TSHR (0.42) | ALDH1A1TDP1LMNATSHRGAA |
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-0308283-B1 | 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXALDEHYDE OXIME DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1992-01-22 | — | — | EP | disclosed |
| EP-0308283-A1 | 1,2,5,6-Tetrahydropyridine-3-carboxaldehyde oxime derivatives, process for their preparation, their use as pharmaceutical compounds and compositions containing them | ROUSSEL-UCLAF (FR) | 1989-03-22 | — | — | EP | disclosed |