Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL575185 | 0.87 | TSHR (0.71) | TSHRACHETDP1TP53PPARD | |
| Fluoride SCHEMBL28903894 | 0.85 | TSHR (0.67) | TSHRACHETDP1TP53PPARD | |
| SCHEMBL388425 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL9049883 | 0.79 | TSHR (0.67) | TSHRACHETDP1TP53PPARD | |
| Triethyl Phosphate SCHEMBL3850859 | 0.79 | TSHR (0.77) | TSHRACHETDP1TP53PPARD | |
| SCHEMBL20261798 | 0.79 | TSHR (0.67) | TSHRACHETDP1TP53PPARD | |
| SCHEMBL20261836 | 0.79 | TSHR (0.67) | TSHRACHETDP1TP53PPARD | |
| SCHEMBL28077126 | 0.78 | — | — | |
| Phosphoric Acid SCHEMBL28077264 | 0.77 | TSHR (0.50) | TSHRACHETDP1TP53PPARD | |
| SCHEMBL3821844 | 0.77 | TSHR (0.63) | TSHRACHETDP1TP53PPARD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106631887-B | A kind of preparation technology of (1R, 2S) 1 cyano group 2 (3,4 difluorophenyl) cyclopropane | 杨绮红 | 2018-03-20 | — | — | CN | claimed |
| CN-106631887-A | Preparation process for (1R,2S)-1-cyano-2-(3,4-difluoro-phenyl)cyclopropane | 青岛云天生物技术有限公司 | 2017-05-10 | — | — | CN | claimed |