Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.49 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.49 |
| ▸ | ABAT | P80404 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1031969 | 0.80 | ALDH1A1 (0.62) | ALDH1A1RAB9ASMN1; SMN2HPGDTRIM24 | |
| SCHEMBL29927015 | 0.80 | ALDH1A1 (0.62) | ALDH1A1RAB9ASMN1; SMN2HPGDTRIM24 | |
| SCHEMBL21973127 | 0.77 | ALDH1A1 (0.60) | ALDH1A1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL5595040 | 0.77 | GAA (0.52) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA | |
| Ethyl Vanillin SCHEMBL22572816 | 0.74 | ALDH1A1 (0.82) | ALDH1A1RAB9ANPC1MAPTHPGD | |
| SCHEMBL23317779 | 0.74 | MEN1 (0.46) | ALDH1A1RAB9AMAPTKDM4EMEN1 | |
| SCHEMBL17782945 | 0.74 | ALDH1A1 (0.72) | ALDH1A1RAB9ASMN1; SMN2MAPTHTT | |
| SCHEMBL19782689 | 0.73 | ALDH1A1 (0.66) | ALDH1A1RAB9ASMN1; SMN2NPC1MAPT | |
| Ethyl Vanillin SCHEMBL9808349 | 0.73 | ALDH1A1 (0.64) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL3684285 | 0.72 | ALDH1A1 (0.70) | ALDH1A1RAB9ASMN1; SMN2MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021083459-A1 | PROCESS FOR THE SYNTHESIS OF DOPA COMPRISING A PHOTOLABILE PROTECTIVE GROUP, AND INTERMEDIATES FOR THE PREPARATION THEREOF | CHIRACON GMBH (DE) | 2021-05-06 | — | — | WO | disclosed |