Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.30 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.30 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9681449 | 0.82 | GRIN2B (0.35) | NAMPT | |
| SCHEMBL11001429 | 0.74 | ALDH1A1 (0.33) | DPP4DPP8DPP9DPP7 | |
| SCHEMBL9681546 | 0.72 | SLC6A2 (0.31) | SLC6A2SLC6A4 | |
| SCHEMBL11574711 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL9681458 | 0.68 | NAMPT (0.36) | KCNH2TMEM97SIGMAR1NAMPTHDAC1 | |
| SCHEMBL2308285 | 0.66 | GAA (0.37) | — | |
| SCHEMBL9682110 | 0.66 | CHEK1 (0.40) | KCNH2TMEM97SIGMAR1NAMPTHDAC1 | |
| SCHEMBL24503135 | 0.65 | PTGS2 (0.37) | NAMPTSLC6A2SLC6A4SLC5A1SLC5A2 | |
| SCHEMBL9320759 | 0.64 | GRIN2B (0.47) | — | |
| SCHEMBL9477142 | 0.64 | CA1 (0.33) | — |
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 |
| EP-0166257-A2 | Cardiovascular composition | MERCK FROSST CANADA INC. (CA) | 1986-01-02 | — | — | 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-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 |