Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL412089 | 0.84 | FDPS (0.43) | FDPSGLSTHRBHDAC1HDAC6 | |
| SCHEMBL11971222 | 0.78 | — | — | |
| SCHEMBL10247235 | 0.76 | HMOX1 (0.62) | HTTTSHRKMT2ALMNATDP1 | |
| SCHEMBL1073206 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1775949 | 0.75 | HMOX1 (0.61) | HTTKMT2ALMNATDP1 | |
| Hydrochloric Acid SCHEMBL8893774 | 0.74 | FDPS (0.44) | FDPSGLSHDAC1HDAC6HTT | |
| SCHEMBL8893769 | 0.74 | — | — | |
| SCHEMBL1178867 | 0.74 | — | — | |
| Bromide SCHEMBL6981267 | 0.74 | FDPS (0.44) | FDPSGLSHDAC1HDAC6HTT | |
| SCHEMBL9206601 | 0.73 | GLS (0.41) | FDPSGLSTHRBHDAC1HDAC6 |
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 |