Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20132403 | 0.88 | CYP3A4 (0.53) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL22939706 | 0.88 | CYP3A4 (0.53) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL638305 | 0.83 | TP53 (0.52) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL13405465 | 0.83 | TSHR (0.52) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL9864901 | 0.81 | TSHR (0.50) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL638304 | 0.81 | TSHR (0.50) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL22699117 | 0.81 | TSHR (0.50) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL29707966 | 0.81 | CA12 (0.52) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL3787241 | 0.81 | TP53 (0.50) | CYP3A4TSHRTP53CA12CA1 | |
| SCHEMBL216270 | 0.81 | CA12 (0.52) | CYP3A4TSHRTP53CA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021022224-A1 | COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF THEIR USE IN THE INHIBITION OF INTERACTION BETWEEN IL18 AND IL18R | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2021-02-04 | — | — | WO | disclosed |
| US-5001213-A | Thermosetting resin compositions | SHELL OIL COMPANY (US) | 1991-03-19 | — | — | US | disclosed |
| US-4933423-A | Thermosetting resin compositions | SHELL OIL COMPANY (US) | 1990-06-12 | — | — | US | disclosed |