Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 5/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | IL1B | P01584 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24720248 | 0.89 | DRD2 (0.35) | USP2DRD2 | |
| SCHEMBL18347935 | 0.81 | USP2 (0.40) | USP2TSHRCYP2C9CYP2D6HSD17B10 | |
| SCHEMBL18361593 | 0.81 | USP2 (0.40) | USP2TSHRCYP2C9CYP2D6HSD17B10 | |
| SCHEMBL24629363 | 0.80 | SMN1; SMN2 (0.31) | DRD2 | |
| SCHEMBL29571630 | 0.79 | EPHX2 (0.33) | USP2TSHRCYP2C9CYP2D6DRD2 | |
| SCHEMBL21733135 | 0.77 | SLC6A9 (0.31) | USP2TSHRCYP2C9CYP2D6SLC6A9 | |
| SCHEMBL13103020 | 0.76 | DRD2 (0.40) | DRD2 | |
| SCHEMBL9613245 | 0.75 | — | — | |
| SCHEMBL1446029 | 0.75 | HTT (0.38) | DRD2CYP3A4ALDH1A1 | |
| SCHEMBL5219364 | 0.73 | HTT (0.41) | DRD2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018136661-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS | ANDREWS STEVEN W (US) | 2018-07-26 | — | — | WO | disclosed |
| US-9988391-B2 | TBK/IKK inhibitor compounds and uses thereof | MERCK PATENT GMBH (DE) | 2018-06-05 | — | — | US | disclosed |