Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 12/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.35 |
| ▸ | HPGD | P15428 | 11/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL9937775 | 0.85 | HSD17B10 (0.41) | HSD17B10POLBCYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL9937364 | 0.65 | CYP3A4 (0.41) | HSD17B10CYP3A4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL25229551 | 0.64 | CYP3A4 (0.45) | HSD17B10POLBCYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL9936490 | 0.64 | CYP3A4 (0.40) | HSD17B10CYP3A4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL9937539 | 0.63 | CYP3A4 (0.41) | HSD17B10CYP3A4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL30076358 | 0.63 | CYP3A4 (0.41) | HSD17B10CYP3A4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL23505746 | 0.62 | HTT (0.49) | HSD17B10POLBCYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL3430205 | 0.62 | ALDH1A1 (0.45) | HSD17B10POLBALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL25731791 | 0.61 | KDM4E (0.48) | HSD17B10CYP3A4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL2674207 | 0.61 | HDAC1 (0.45) | HSD17B10POLBCYP3A4ALDH1A1SMN1; SMN2 |
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-3053925-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-08-10 | — | — | EP | disclosed |