Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31378269 | 0.98 | CTSL (0.49) | ALDH1A1HTTGAALMNACTSL | |
| Trifluoroacetic Acid SCHEMBL6567389 | 0.90 | CTSL (0.43) | ALDH1A1HTTGAALMNACTSL | |
| SCHEMBL9155829 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HTTLMNACTSLCTSB | |
| SCHEMBL31262932 | 0.81 | CTSL (0.49) | ALDH1A1HTTGAALMNACTSL | |
| SCHEMBL8156953 | 0.80 | ITGB3 (0.50) | SMN1; SMN2RAB9A | |
| Hydrochloric Acid SCHEMBL5891447 | 0.80 | F10 (0.46) | MEN1KMT2ANPC1 | |
| SCHEMBL31262880 | 0.79 | CTSL (0.50) | ALDH1A1HTTGAALMNACTSL | |
| SCHEMBL9158363 | 0.79 | GAA (0.46) | ALDH1A1GAALMNACTSLCTSB | |
| SCHEMBL9158357 | 0.79 | GAA (0.46) | ALDH1A1GAALMNACTSLCTSB | |
| SCHEMBL9158572 | 0.77 | GAA (0.50) | ALDH1A1HTTGAALMNACTSL |
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 |
|---|---|---|---|---|---|---|---|
| CN-1125054-C | Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them | AVENTIS PHARMACEUTICS GMBH (DE) | 2003-10-22 | — | — | CN | disclosed |