Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Magnesium Chloride Anhydrous SCHEMBL28044649 | 0.93 | ALDH1A1 (0.54) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| SCHEMBL24735755 | 0.93 | TSHR (0.79) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| SCHEMBL16237335 | 0.93 | TSHR (0.79) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| Magnesium Chloride Anhydrous SCHEMBL28044726 | 0.91 | TSHR (0.83) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| Magnesium Chloride Anhydrous SCHEMBL28044645 | 0.89 | ALDH1A1 (0.59) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| SCHEMBL20629240 | 0.89 | TSHR (0.86) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| SCHEMBL11096395 | 0.87 | ALDH1A1 (0.83) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| SCHEMBL24467443 | 0.85 | TSHR (0.78) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| SCHEMBL16236793 | 0.85 | ALDH1A1 (0.64) | TSHRALDH1A1CYP3A4KDM4ETDP1 | |
| SCHEMBL277614 | 0.84 | ALDH1A1 (0.62) | TSHRALDH1A1CYP3A4KDM4ETDP1 |
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-105189477-A | Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof | BASF SE | 2015-12-23 | — | — | CN | disclosed |