Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487486 | 0.90 | ALDH1A1 (0.42) | GRIN2BALDH1A1LMNAHPGDKDM4E | |
| SCHEMBL11103482 | 0.88 | GRIN2B (0.34) | GRIN2BNAMPTCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9681458 | 0.81 | NAMPT (0.36) | NAMPT | |
| SCHEMBL4488551 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDKDM4ETSHR | |
| SCHEMBL11100489 | 0.76 | MAPT (0.43) | ALDH1A1LMNAHPGDNAMPTTSHR | |
| SCHEMBL11010781 | 0.75 | KMT2A (0.63) | ALDH1A1LMNAHPGDKDM4EMEN1 | |
| SCHEMBL10503021 | 0.74 | DRD2 (0.35) | LMNADRD2 | |
| SCHEMBL11098487 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HPGDNAMPTTSHRHTT | |
| SCHEMBL7241941 | 0.73 | GRIN2B (0.33) | GRIN2BLMNAHPGDNAMPTCHRNB4 | |
| SCHEMBL7111900 | 0.73 | ALDH1A1 (0.41) | ALDH1A1LMNAHPGDKDM4ETSHR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0463636-A2 | Cardiovascular composition | MERCK FROSST CANADA INC. (CA) | 1992-01-02 | — | — | EP | claimed |
| EP-0166257-A2 | Cardiovascular composition | MERCK FROSST CANADA INC. (CA) | 1986-01-02 | — | — | EP | claimed |
| EP-0029587-A1 | 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1981-06-03 | — | — | EP | claimed |
| US-4237160-A | 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1980-12-02 | — | — | US | claimed |
| EP-0463636-A2 | Cardiovascular composition | MERCK FROSST CANADA INC. (CA) | 1992-01-02 | — | — | EP | disclosed |
| US-4558037-A | A DIBENZOTHIEPIN COMPOUND AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR | MERCK & CO., INC. (US) | 1985-12-10 | — | — | US | disclosed |
| US-4535171-A | Dibenzo[b,f]thiepin-3-carboxaldehydes as prostaglandin antagonists | MERCK FROSST CANADA, INC. (CA) | 1985-08-13 | — | — | US | disclosed |
| EP-0138532-A2 | 3-Substituted dibenzo [b,f] thiepins, compositions containing them and their use as prostaglandin antagonists | MERCK FROSST CANADA INC. (CA) | 1985-04-24 | — | — | EP | disclosed |
| EP-0029587-B1 | 3-HYDROXYMETHYLDIBENZO(B,F)THIEPINS AND DIBENZO(B,F)THIEPIN-3-CARBOXALDEHYDES AS PROSTAGLANDIN ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1984-06-13 | — | — | EP | disclosed |
| EP-0029587-A1 | 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1981-06-03 | — | — | EP | disclosed |
| US-4237160-A | 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1980-12-02 | — | — | US | disclosed |