Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28327629 | 0.82 | CASP3 (0.58) | CASP3HPGDCYP2C19HSD17B10NOTUM | |
| SCHEMBL23566743 | 0.77 | ACHE (0.38) | HPGDHSD17B10NOTUMLMNAPKM | |
| SCHEMBL27638478 | 0.73 | CASP3 (0.37) | CASP3HPGDCYP2C19HSD17B10NPC1 | |
| SCHEMBL9254801 | 0.69 | AR (0.41) | HPGDHSD17B10L3MBTL1NPC1SMN1; SMN2 | |
| SCHEMBL31352976 | 0.64 | PTGS2 (0.57) | PTGS2 | |
| SCHEMBL3287696 | 0.63 | ACHE (0.73) | HPGDCYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL18661495 | 0.63 | ACHE (0.73) | HPGDCYP2D6CYP2C9ALOX15CYP2C19 | |
| P-Xylene SCHEMBL28284647 | 0.63 | ACHE (0.73) | HPGDCYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL197731 | 0.63 | ACHE (0.73) | HPGDCYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL21906402 | 0.63 | CYP1A2 (0.55) | HPGDCYP2D6CYP2C9ALOX15CYP2C19 |
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-103052640-B | Furopyridine Derivatives | 默克专利股份公司 | 2017-06-30 | — | — | CN | disclosed |