Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
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 SCHEMBL3395062 | 0.99 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL3248953 | 0.82 | ALDH1A1 (0.57) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL14197242 | 0.81 | ALDH1A1 (0.56) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL3249503 | 0.80 | KMT2A (0.75) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL13043452 | 0.80 | KMT2A (0.57) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| Hydrochloric Acid SCHEMBL4830876 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| Hydrochloric Acid SCHEMBL23610493 | 0.79 | KMT2A (0.73) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| Hydrochloric Acid SCHEMBL3394599 | 0.79 | KMT2A (0.56) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL12050849 | 0.79 | ALDH1A1 (0.43) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL21764931 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2MAPK1KMT2A |
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-2020039029-A1 | SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS | ASCENEURON S. A. (CH) | 2020-02-27 | — | — | WO | disclosed |