Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | TYK2 | P29597 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16169041 | 1.00 | FDPS (0.50) | FDPSTSHRNLRP3JAK2JAK1 | |
| SCHEMBL14653801 | 0.83 | FDPS (0.48) | FDPSTSHRNLRP3NOS1HDAC1 | |
| SCHEMBL18231656 | 0.79 | — | — | |
| SCHEMBL34468064 | 0.79 | — | — | |
| SCHEMBL2162547 | 0.79 | — | — | |
| SCHEMBL23540099 | 0.78 | TSHR (0.53) | FDPSTSHRNLRP3JAK2JAK1 | |
| SCHEMBL7147178 | 0.78 | TSHR (0.53) | FDPSTSHRNLRP3JAK2JAK1 | |
| SCHEMBL20278976 | 0.76 | FDPS (0.50) | FDPSTSHRNLRP3JAK2JAK1 | |
| SCHEMBL24772005 | 0.76 | FDPS (0.42) | FDPSTSHRNLRP3NOS1L3MBTL1 | |
| SCHEMBL293364 | 0.75 | — | — |
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 |