Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATF1 | P18846 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 10/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 5/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31373505 | 0.84 | ALDH1A1 (0.56) | ATF1NFKB1S1PR2ALDH1A1GAA | |
| SCHEMBL16372124 | 0.81 | ATF1 (0.49) | ATF1NFKB1S1PR2ALDH1A1GAA | |
| SCHEMBL23852050 | 0.77 | GAA (0.46) | ATF1NFKB1S1PR2ALDH1A1GAA | |
| SCHEMBL21177599 | 0.74 | KMT2A (0.41) | S1PR2ALDH1A1GAAMAPTHPGD | |
| Bicarbonate SCHEMBL10635309 | 0.73 | LMNA (0.46) | ATF1NFKB1S1PR2ALDH1A1HPGD | |
| SCHEMBL31373514 | 0.72 | ATF1 (0.35) | ATF1NFKB1S1PR2 | |
| SCHEMBL26650504 | 0.72 | ATF1 (0.35) | ATF1NFKB1S1PR2 | |
| SCHEMBL1489997 | 0.72 | ATF1 (0.48) | ATF1NFKB1S1PR2LMNA | |
| SCHEMBL11407133 | 0.70 | ALDH1A1 (0.72) | ALDH1A1GAAMAPTHPGDAGTR1 | |
| SCHEMBL27815649 | 0.69 | KMT2A (0.48) | ALDH1A1GAAMAPTHPGDKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3883575-A1 | SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-09-29 | — | — | EP | disclosed |