Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 6/20 | 0.69 |
| ▸ | HEXB | P07686 | 6/20 | 0.69 |
| ▸ | OGA | O60502 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.59 |
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | RAD52 | P43351 | 1/20 | 0.59 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL22683219 | 0.89 | HEXA (0.73) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL4448751 | 0.89 | HEXA (0.71) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL7071975 | 0.88 | ALDH1A1 (0.66) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL9626265 | 0.85 | HEXA (0.83) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL10795642 | 0.85 | CYP1B1 (0.67) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL9625535 | 0.83 | HEXA (0.81) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL9625395 | 0.83 | HEXA (0.81) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL9625518 | 0.83 | HEXA (0.81) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL9625779 | 0.83 | HEXA (0.81) | HEXAHEXBOGAKDM4EALDH1A1 | |
| SCHEMBL2296434 | 0.82 | GLS (0.61) | KDM4EALDH1A1MAPTSMN1; SMN2RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107022349-B | Cytochrome oxidase CYP1A1 specificity fluorescent probe and the preparation method and application thereof | 中国科学院大连化学物理研究所 | 2019-10-11 | — | — | CN | disclosed |
| CN-107153051-A | Cytochrome oxidase 1A1 enzyme detection kits and its application method and application | 中国科学院大连化学物理研究所 | 2017-09-12 | — | — | CN | disclosed |
| CN-107022349-A | Cytochrome oxidase CYP1A1 specificity fluorescent probes and preparation method and application | 中国科学院大连化学物理研究所 | 2017-08-08 | — | — | CN | disclosed |
| EP-0722942-A1 | Indole piperidine derivatives | MERCK PATENT GmbH (DE) | 1996-07-24 | — | — | EP | disclosed |