Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569629 | 0.89 | GRIN2B (0.62) | GRIN2BALDH1A1OPRL1OPRM1OPRK1 | |
| SCHEMBL8569045 | 0.82 | GRIN2B (0.59) | GRIN2BOPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL14876096 | 0.79 | GRIN2B (0.60) | GRIN2BALDH1A1OPRL1OPRM1KDM4E | |
| SCHEMBL29447414 | 0.79 | GRIN2B (0.60) | GRIN2BALDH1A1OPRL1OPRM1KDM4E | |
| SCHEMBL11620522 | 0.77 | FYN (0.59) | GRIN2BALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL6001937 | 0.75 | GRIN2B (0.56) | GRIN2BALDH1A1OPRL1OPRM1KDM4E | |
| SCHEMBL6646375 | 0.73 | GRIN2B (0.55) | GRIN2BALDH1A1OPRL1OPRM1OPRK1 | |
| SCHEMBL25803002 | 0.73 | GRIN2B (0.55) | GRIN2BALDH1A1OPRL1OPRM1OPRK1 | |
| SCHEMBL2203474 | 0.73 | GRIN2B (0.55) | GRIN2BALDH1A1OPRL1OPRM1OPRK1 | |
| SCHEMBL4486847 | 0.73 | CHRNA7 (0.59) | GRIN2BALDH1A1OPRL1OPRM1OPRK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| CN-1110685-A | Nitrogen-containing spiro ring | MERCK & CO INC (US) | 1995-10-25 | — | — | CN | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| CN-1053613-A | Nitrogen-containing spiro ring | MERCK & CO INC (US) | 1991-08-07 | — | — | CN | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |