Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
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 SCHEMBL8176663 | 0.99 | GRIN2B (0.67) | GRIN2BALDH1A1KDM4EBCHEACHE | |
| SCHEMBL8185330 | 0.93 | KDM4E (0.71) | GRIN2BALDH1A1KDM4EBCHEACHE | |
| SCHEMBL6577200 | 0.83 | GRIN2B (0.63) | GRIN2BALDH1A1KDM4EBCHEACHE | |
| SCHEMBL8765798 | 0.82 | GRIN2B (0.70) | GRIN2BALDH1A1KDM4EBCHEACHE | |
| SCHEMBL8185940 | 0.79 | GRIN2B (0.86) | GRIN2BALDH1A1KDM4EBCHEACHE | |
| SCHEMBL5899524 | 0.79 | MAOA (0.62) | BCHEACHEMAOAMAOB | |
| Hydrochloric Acid SCHEMBL8187601 | 0.78 | GRIN2B (0.84) | GRIN2BBCHEACHEBACE1POLB | |
| SCHEMBL23022974 | 0.78 | GRIN2B (0.49) | GRIN2BBCHEACHEBACE1KDM1A | |
| SCHEMBL8188704 | 0.78 | GRIN2B (0.64) | GRIN2BALDH1A1KDM4EBCHEACHE | |
| SCHEMBL23023098 | 0.78 | GRIN2B (0.49) | GRIN2BBCHEACHEBACE1KDM1A |
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-1997006158-A1 | BICYCLIC AMIDINE DERIVATIVES USEFUL IN THERAPY | ASTRA AKTIEBOLAG (SE) | 1997-02-20 | — | — | WO | disclosed |