Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HMGCR | P04035 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | G6PD | P11413 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30367766 | 0.87 | CYP3A4 (0.50) | CYP3A4MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL16328146 | 0.87 | CYP3A4 (0.44) | HTTHMGCRCYP3A4MAPTKDM4E | |
| SCHEMBL70697 | 0.87 | CYP3A4 (0.50) | HTTHMGCRCYP3A4MAPTKDM4E | |
| SCHEMBL879021 | 0.87 | CYP3A4 (0.50) | CYP3A4MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL1987450 | 0.83 | HTT (0.58) | HTTHMGCRCYP3A4MAPTKDM4E | |
| SCHEMBL30648558 | 0.83 | HTT (0.58) | HTTHMGCRCYP3A4MAPTKDM4E | |
| SCHEMBL29421892 | 0.82 | MAOB (0.48) | HTTHMGCRCYP3A4MAPTKDM4E | |
| SCHEMBL3674401 | 0.82 | MAOB (0.48) | HTTHMGCRCYP3A4MAPTKDM4E | |
| SCHEMBL23972589 | 0.81 | ACHE (0.44) | HTTHMGCRCYP3A4MAPTKDM4E | |
| SCHEMBL93964 | 0.81 | POLB (0.48) | HTTCYP3A4MAPTKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114181047-A | Method for preparing biphenol from cresol | 中国科学院大连化学物理研究所 | 2022-03-15 | — | — | CN | claimed |
| CN-114181047-A | Method for preparing biphenol from cresol | 中国科学院大连化学物理研究所 | 2022-03-15 | — | — | CN | disclosed |