Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL11047683 | 0.86 | GRIN1 (0.50) | GRIN1GRIN2BKCNH2TNKS2KDM1A | |
| SCHEMBL6583019 | 0.84 | MAOB (0.56) | GRIN1GRIN2BKCNH2TNKS2KDM1A | |
| SCHEMBL3102916 | 0.82 | GRIN1 (0.53) | GRIN1GRIN2BKDM1AMAOBMAOA | |
| SCHEMBL6588487 | 0.81 | SPHK1 (0.55) | GRIN1GRIN2BKCNH2TNKS2KDM1A | |
| SCHEMBL6583023 | 0.81 | SPHK1 (0.58) | GRIN1GRIN2BKCNH2TNKS2KDM1A | |
| SCHEMBL12354455 | 0.80 | SPHK1 (0.60) | KCNH2TNKS2KDM1AMAOBMAOA | |
| SCHEMBL2916071 | 0.79 | HTR2C (0.57) | KDM1AHTR2B | |
| SCHEMBL22112018 | 0.78 | OPRL1 (0.56) | KCNH2KDM1AMAOBBCHE | |
| SCHEMBL29666652 | 0.78 | KCNH2 (0.53) | GRIN1GRIN2BKCNH2TNKS2KDM1A | |
| SCHEMBL12735838 | 0.78 | HTR2C (0.60) | KCNH2TNKS2KDM1AMAOBMAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4247801-A1 | 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS | Merck Sharp & Dohme LLC (US) | 2023-09-27 | — | — | EP | disclosed |
| WO-2022109117-A1 | 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |
| WO-2022109117-A1 | 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |