Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL40525 | 0.98 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| SCHEMBL28166896 | 0.98 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| Benzene SCHEMBL28074647 | 0.98 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| Methane SCHEMBL28614489 | 0.95 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| Fluoride SCHEMBL27889058 | 0.95 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| Hydrochloric Acid SCHEMBL30829222 | 0.95 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| Hydrogen Sulfide SCHEMBL27878891 | 0.95 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| SCHEMBL28089085 | 0.90 | ALDH1A1 (0.60) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| Naphthalene SCHEMBL27966015 | 0.90 | ALDH1A1 (0.60) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 | |
| Bromobenzene SCHEMBL27659220 | 0.88 | ALDH1A1 (0.58) | ALDH1A1CYP1A2HSD17B10HDAC3CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110918075-B | Preparation and application of metal organic framework magnetic nano porous carbon material | 中国科学院兰州化学物理研究所 | 2022-03-25 | — | — | CN | disclosed |
| CN-110918075-B | Preparation and application of metal organic framework magnetic nano porous carbon material | 中国科学院兰州化学物理研究所 | 2022-03-25 | — | — | CN | disclosed |
| CN-110918075-A | Preparation and application of metal organic framework magnetic nano porous carbon material | 中国科学院兰州化学物理研究所 | 2020-03-27 | — | — | CN | disclosed |