Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 4/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL23210377 | 1.00 | DGAT1 (0.34) | DGAT1CYP1A2CYP3A4GRM5SLC6A1 | |
| SCHEMBL9929314 | 0.80 | SLC6A1 (0.40) | CYP1A2CYP3A4GRM5SLC6A1ALDH1A1 | |
| SCHEMBL27096703 | 0.79 | DGAT1 (0.38) | DGAT1 | |
| SCHEMBL21145360 | 0.78 | USP30 (0.49) | CYP1A2USP30CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL21145342 | 0.75 | SLC6A1 (0.32) | CYP3A4SLC6A1ALDH1A1 | |
| SCHEMBL21145343 | 0.75 | SLC6A1 (0.32) | CYP3A4SLC6A1ALDH1A1 | |
| SCHEMBL21380402 | 0.73 | — | — | |
| SCHEMBL3628875 | 0.72 | DPP4 (0.40) | CYP1A2CYP3A4GRM5CYP2C9ALDH1A1 | |
| SCHEMBL31616276 | 0.70 | GRM5 (0.45) | CYP1A2CYP3A4GRM5CYP2C9TSHR | |
| SCHEMBL4066092 | 0.70 | GRM5 (0.52) | CYP1A2CYP3A4GRM5CYP2C9TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3886988-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020112700-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | WO | disclosed |