Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | FLT3 | P36888 | 2/20 | 0.56 |
| ▸ | CREB1 | P16220 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | KIT | P10721 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16499864 | 0.83 | KDM4E (0.69) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| Apigenin Triacetate SCHEMBL1676023 | 0.83 | KDM4E (0.88) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL1976134 | 0.82 | FLT3 (0.76) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL14098630 | 0.81 | BCHE (0.71) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL23383378 | 0.80 | MAPT (0.56) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL9241994 | 0.79 | ALDH1A1 (0.77) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL30174107 | 0.78 | FLT3 (0.56) | MAPTKDM4ECYP3A4ALDH1A1SMN1; SMN2 | |
| Acacetin Diacetate SCHEMBL10026579 | 0.78 | CYP3A4 (1.00) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL972837 | 0.77 | CREB1 (0.80) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL28588026 | 0.76 | CYP3A4 (0.62) | MAPTKDM4ECYP3A4HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3825398-A1 | DIELS-ALDERASE AND USE THEREOF | Peking University (CN) | 2021-05-26 | — | — | EP | disclosed |
| US-20210147820-A1 | DIELS-ALDERASE AND USE THEREOF | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES AND PEKING UNION MEDICAL COLLEGE (CN) | 2021-05-20 | — | — | US | disclosed |