Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL28856830 | 0.81 | NAMPT (0.35) | NAMPTFFAR3ALDH1A1 | |
| SCHEMBL26133827 | 0.78 | NAMPT (0.33) | NAMPT | |
| SCHEMBL29160968 | 0.76 | NAMPT (0.34) | NAMPT | |
| SCHEMBL21381853 | 0.73 | NAMPT (0.33) | NAMPT | |
| SCHEMBL14800841 | 0.73 | F10 (0.35) | NAMPTFFAR3ALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL2694443 | 0.71 | NAMPT (0.35) | NAMPT | |
| SCHEMBL25189476 | 0.71 | — | — | |
| SCHEMBL31663378 | 0.71 | PPM1D (0.36) | — | |
| SCHEMBL30782507 | 0.70 | ACHE (0.32) | NAMPTALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL15170772 | 0.70 | LMNA (0.30) | — |
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 |