Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17000164 | 0.83 | SMN1; SMN2 (0.43) | CA14THRBSMN1; SMN2TSHRTP53 | |
| SCHEMBL4366391 | 0.79 | CA14 (0.38) | CA14THRBSMN1; SMN2TSHRTP53 | |
| SCHEMBL15618893 | 0.76 | — | — | |
| SCHEMBL27737037 | 0.74 | TP53 (0.49) | THRBSMN1; SMN2TSHRTP53ALDH1A1 | |
| SCHEMBL5518795 | 0.73 | TSHR (0.46) | THRBSMN1; SMN2TSHRTP53ALDH1A1 | |
| SCHEMBL5512552 | 0.73 | TSHR (0.46) | THRBSMN1; SMN2TSHRTP53ALDH1A1 | |
| SCHEMBL4600870 | 0.73 | TSHR (0.46) | THRBSMN1; SMN2TSHRTP53ALDH1A1 | |
| SCHEMBL16837890 | 0.73 | THRB (0.36) | CA14THRBSMN1; SMN2TSHR | |
| SCHEMBL12534071 | 0.73 | — | — | |
| SCHEMBL13616798 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103058884-B | Method for synthesizing 1-hydroxymethyl cyclopropyl acetonitrile | WUHAN SAITHCHEM. CO., LIMITED (CN) | 2014-10-29 | — | — | CN | disclosed |
| CN-102633683-B | Synthesis method of 1-hydroxymethyl cyclopropylacetonitrile | YANCHENG JINGHUA CHEMICAL CO LTD | 2014-05-21 | — | — | CN | disclosed |
| CN-102633683-B | Synthesis method of 1-hydroxymethyl cyclopropylacetonitrile | YANCHENG JINGHUA CHEMICAL CO LTD | 2014-05-21 | — | — | CN | disclosed |
| CN-103058884-A | Method for synthesizing 1-hydroxymethyl cyclopropyl acetonitrile | WUHAN SAITHCHEM CO LTD | 2013-04-24 | — | — | CN | disclosed |
| CN-102633683-A | Synthesis method of 1-hydroxymethyl cyclopropylacetonitrile | YANCHENG JINGHUA CHEMICAL CO LTD | 2012-08-15 | — | — | CN | disclosed |
| CN-102633683-A | Synthesis method of 1-hydroxymethyl cyclopropylacetonitrile | YANCHENG JINGHUA CHEMICAL CO LTD | 2012-08-15 | — | — | CN | disclosed |