Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | LAP3 | P28838 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
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 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| SCHEMBL9361148 | 0.91 | ALDH1A1 (0.70) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| SCHEMBL10411852 | 0.91 | ALDH1A1 (0.70) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| SCHEMBL965056 | 0.89 | TSHR (0.65) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| SCHEMBL965573 | 0.89 | TSHR (0.65) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| SCHEMBL965893 | 0.89 | TSHR (0.65) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| SCHEMBL16237314 | 0.89 | ALDH1A1 (0.73) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| Magnesium Chloride Anhydrous SCHEMBL28824601 | 0.89 | TSHR (0.68) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| SCHEMBL16236793 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4LMNADNM1 | |
| Hydrochloric Acid SCHEMBL9178593 | 0.87 | TSHR (0.62) | ALDH1A1TSHRCYP3A4LMNADNM1 |
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 |