Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722865 | 0.84 | OPRL1 (0.48) | TSHRCYP3A4CYP2D6POLBGAA | |
| SCHEMBL6526248 | 0.79 | CYP2D6 (0.41) | TSHRCYP3A4CYP2D6L3MBTL1CYP2C19 | |
| SCHEMBL6526247 | 0.79 | HDAC1 (0.40) | TSHRCYP3A4CYP2D6L3MBTL1SIGMAR1 | |
| SCHEMBL3668098 | 0.78 | POLB (0.46) | TSHRCYP3A4CYP2D6POLBGAA | |
| SCHEMBL13780621 | 0.78 | SIGMAR1 (0.51) | TSHRCYP3A4CYP2D6SIGMAR1CYP2C19 | |
| SCHEMBL6422849 | 0.77 | SIGMAR1 (0.57) | TSHRCYP3A4CYP2D6POLBGAA | |
| Trifluoroacetic Acid SCHEMBL3721770 | 0.76 | PRNP (0.46) | TSHRCYP3A4CYP2D6POLBCYP2C19 | |
| SCHEMBL3668622 | 0.76 | OPRL1 (0.53) | TSHRCYP3A4CYP2D6POLBGAA | |
| SCHEMBL3663768 | 0.76 | SIGMAR1 (0.43) | TSHRCYP3A4CYP2D6POLBGAA | |
| SCHEMBL29444535 | 0.75 | POLB (0.43) | TSHRCYP3A4CYP2D6POLBGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884096-B | Spiroindolinones as DDR1 inhibitors | 豪夫迈·罗氏有限公司 | 2022-03-22 | — | — | CN | disclosed |