Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 3/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL27709246 | 0.81 | TSHR (0.53) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Butane SCHEMBL27416321 | 0.81 | TSHR (0.53) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL756585 | 0.80 | TSHR (0.61) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Benzene SCHEMBL27265959 | 0.80 | TSHR (0.61) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL27703149 | 0.80 | TSHR (0.61) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL27776892 | 0.78 | TSHR (0.59) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Fluoride SCHEMBL27323288 | 0.78 | TSHR (0.59) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL10768142 | 0.78 | TSHR (0.59) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Hydrogen Sulfide SCHEMBL27367166 | 0.78 | TSHR (0.59) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Water SCHEMBL27479836 | 0.78 | TSHR (0.59) | TSHRALDH1A1KDM4EHSD17B10HPGD |
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-106366075-A | Pyrrolidine compounds, salts thereof, applications of compounds or salts thereof in nuclear magnetic probes and medicines, reagent, and medicine | 北京市神经外科研究所 | 2017-02-01 | — | — | CN | disclosed |