Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 6/20 | 0.53 |
| ▸ | BACE1 | P56817 | 6/20 | 0.53 |
| ▸ | BCHE | P06276 | 4/20 | 0.53 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.48 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8015281 | 0.90 | GRIN2B (0.50) | GRIN2BMEN1KMT2ARAB9AACHE | |
| SCHEMBL663239 | 0.85 | GRIN2B (0.74) | GRIN2BMEN1KMT2ARAB9AACHE | |
| Hydrochloric Acid SCHEMBL2550113 | 0.83 | MEN1 (0.78) | GRIN2BMEN1KMT2ARAB9AACHE | |
| SCHEMBL24093405 | 0.82 | MAOA (0.53) | — | |
| SCHEMBL24093082 | 0.80 | GRIN2B (0.54) | GRIN2BMEN1KMT2ARAB9AACHE | |
| Methyl Alcohol SCHEMBL27513196 | 0.80 | GRIN2B (0.67) | GRIN2BMEN1KMT2ARAB9AACHE | |
| SCHEMBL3184557 | 0.80 | GRIN2B (0.67) | GRIN2BMEN1KMT2ARAB9AACHE | |
| SCHEMBL7106832 | 0.79 | GRIN2B (0.49) | GRIN2BMEN1KMT2ARAB9AACHE | |
| Bicarbonate SCHEMBL11118446 | 0.78 | GRIN2B (0.65) | GRIN2BMEN1KMT2ARAB9AACHE | |
| SCHEMBL4173336 | 0.77 | GRIN2B (0.69) | GRIN2BMEN1KMT2ARAB9AACHE |
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-2758377-B1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-08-02 | — | — | EP | disclosed |