Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.50 |
| ▸ | ACHE | P22303 | 5/20 | 0.50 |
| ▸ | BACE1 | P56817 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.49 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5556152 | 0.85 | BCHE (0.64) | BCHEACHEBACE1MEN1RAB9A | |
| Hydrochloric Acid SCHEMBL218521 | 0.84 | BCHE (0.62) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL21729631 | 0.82 | ACHE (0.50) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL10073807 | 0.80 | MEN1 (0.69) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL23545594 | 0.79 | TEAD1 (0.48) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL19650799 | 0.79 | BCHE (0.61) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL24258289 | 0.79 | HRH3 (0.62) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL2730914 | 0.78 | KDM1A (0.54) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL25683753 | 0.77 | TEAD1 (0.46) | BCHEACHEBACE1MEN1RAB9A | |
| SCHEMBL22787428 | 0.76 | KDM1A (0.47) | BCHEACHEBACE1RAB9AHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |