Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10073915 | 0.75 | FFAR4 (0.41) | FFAR4KMT2ACYP3A4GAA | |
| SCHEMBL17756253 | 0.70 | GRIN2B (0.40) | KMT2ACYP3A4 | |
| SCHEMBL15927920 | 0.68 | ACHE (0.38) | ALDH1A1 | |
| SCHEMBL15927911 | 0.68 | ACHE (0.38) | ALDH1A1 | |
| SCHEMBL1727025 | 0.67 | KMT2A (0.62) | KMT2AALOX5ALDH1A1 | |
| SCHEMBL25094929 | 0.67 | APP (0.41) | KMT2ANPSR1ALOX5ALDH1A1 | |
| SCHEMBL14830857 | 0.67 | NPC1 (0.45) | KMT2ANPSR1ALDH1A1 | |
| SCHEMBL21827454 | 0.66 | OPRM1 (0.42) | ALDH1A1 | |
| SCHEMBL1509074 | 0.66 | NPC1 (0.44) | KMT2ANPSR1ALDH1A1 | |
| SCHEMBL28239851 | 0.65 | SLC1A2 (0.41) | SLC6A2SLC6A4SLC6A3ALDH1A1 |
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-2940019-B1 | SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2018-03-28 | — | — | EP | disclosed |