Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | UNG | P13051 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11401387 | 0.81 | HSD17B10 (0.40) | ALDH1A1KMT2AKDM4EPTGS2RAB9A | |
| SCHEMBL11009130 | 0.81 | CA12 (0.33) | ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL11005866 | 0.81 | KDM4E (0.33) | ALDH1A1MEN1KMT2AKDM4EPTGS2 | |
| SCHEMBL11007005 | 0.81 | KDM4E (0.44) | GPR3ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL11005892 | 0.81 | ALDH5A1 (0.40) | ALDH1A1KDM4EPTGS2RAB9AESR1 | |
| SCHEMBL11036902 | 0.79 | GPR3 (0.55) | GPR3ALDH1A1MEN1KMT2ANOX1 | |
| SCHEMBL11004525 | 0.79 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL11010030 | 0.79 | PTGS2 (0.40) | ALDH1A1MEN1KMT2AKDM4EPTGS2 | |
| SCHEMBL11399464 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CYP2A6KMT2AKDM4ERAB9A | |
| SCHEMBL11402062 | 0.76 | CA1 (0.35) | PTGS2 |
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 7 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 |
| US-4535171-A | Dibenzo[b,f]thiepin-3-carboxaldehydes as prostaglandin antagonists | MERCK FROSST CANADA, INC. (CA) | 1985-08-13 | — | — | US | claimed |
| 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 |