Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.32 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.32 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 3/20 | 0.31 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL9681467 | 0.82 | KCNH2 (0.33) | NAMPT | |
| SCHEMBL11751309 | 0.78 | ORAI1 (0.41) | TSHRORAI1ORAI2ORAI3 | |
| SCHEMBL2309979 | 0.78 | TDP1 (0.36) | TSHRPDK2 | |
| SCHEMBL7114523 | 0.75 | DRD1 (0.36) | TSHRORAI1ORAI2ORAI3 | |
| SCHEMBL6860681 | 0.74 | CYP1A2 (0.38) | TSHRPDK2 | |
| SCHEMBL9679925 | 0.73 | SRD5A2 (0.51) | TTR | |
| SCHEMBL9680839 | 0.72 | TSHR (0.33) | TSHRTTRLTA4H | |
| SCHEMBL11005224 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL8711081 | 0.70 | ALDH1A1 (0.33) | TSHRTTR | |
| SCHEMBL11664176 | 0.69 | HPGD (0.42) | TSHRPDK2 |
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-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-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 |
| US-4237160-A | 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1980-12-02 | — | — | US | disclosed |