Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28174201 | 0.88 | CYP4F2 (0.41) | TDP1CYP4F2CYP4A11DGAT1TSHR | |
| SCHEMBL3283628 | 0.87 | DGAT1 (0.37) | CYP4F2CYP4A11DGAT1TSHRELANE | |
| SCHEMBL3281084 | 0.83 | TSHR (0.39) | CYP4F2CYP4A11DGAT1TSHRALDH1A1 | |
| SCHEMBL9581451 | 0.82 | DGAT1 (0.33) | CYP4F2CYP4A11DGAT1TSHR | |
| SCHEMBL18982744 | 0.82 | DGAT1 (0.33) | CYP4F2CYP4A11DGAT1TSHR | |
| SCHEMBL2022397 | 0.79 | DGAT1 (0.44) | CYP4F2CYP4A11DGAT1TSHRELANE | |
| SCHEMBL759137 | 0.78 | TSHR (0.52) | CYP4F2CYP4A11DGAT1TSHRALDH1A1 | |
| SCHEMBL161711 | 0.78 | NAALAD2 (0.45) | TDP1CYP4F2CYP4A11DGAT1TSHR | |
| SCHEMBL9219661 | 0.78 | TDP1 (0.39) | TDP1DGAT1 | |
| SCHEMBL5911694 | 0.78 | ALDH1A1 (0.39) | CYP4F2CYP4A11DGAT1TSHRELANE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081145-A | Contractile prostaglandin antagonists | MERCK FROSST CANADA, INC. (CA) | 1992-01-14 | — | — | US | disclosed |
| EP-0166591-B1 | INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1989-11-23 | — | — | EP | disclosed |
| EP-0166591-A2 | Indole-2-alkanoic acids and their use as prostaglandin antagonists | MERCK FROSST CANADA INC. (CA) | 1986-01-02 | — | — | EP | disclosed |