Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17395169 | 0.83 | CTNNB1 (0.38) | NPC1RAB9ACTNNB1WNT3AHPGD | |
| SCHEMBL28000178 | 0.78 | NPC1 (0.44) | CES1NPC1RAB9AHPGDERCC5 | |
| SCHEMBL11259732 | 0.77 | ADRB2 (0.43) | NPC1RAB9AHPGDALDH1A1ERCC5 | |
| SCHEMBL7949878 | 0.71 | HPGD (0.47) | HPGDALDH1A1ERCC5FEN1THRB | |
| SCHEMBL5096830 | 0.70 | HPGD (0.46) | NPC1RAB9AHPGDERCC5FEN1 | |
| SCHEMBL8914360 | 0.70 | HPGD (0.46) | HPGDALDH1A1ERCC5FEN1THRB | |
| SCHEMBL29645048 | 0.70 | CES1 (0.50) | CES1HPGDALDH1A1ERCC5FEN1 | |
| SCHEMBL1199962 | 0.70 | CES1 (0.50) | CES1HPGDALDH1A1ERCC5FEN1 | |
| SCHEMBL19278858 | 0.70 | HPGD (0.46) | HPGDALDH1A1ERCC5FEN1SMN1; SMN2 | |
| SCHEMBL10455866 | 0.70 | HPGD (0.46) | NPC1RAB9AHPGDALDH1A1ERCC5 |
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-109265328-B | Method for green synthesis of benzoin diether driven by visible light | 兰州大学 | 2021-06-04 | — | — | CN | disclosed |