Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5962399 | 0.81 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10973383 | 0.79 | DRD1 (0.40) | HTR2AHTR2CHTR2BDRD1 | |
| SCHEMBL1251031 | 0.76 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL31345525 | 0.75 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL943297 | 0.75 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4644640 | 0.75 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2284298 | 0.74 | MTNR1A (0.62) | CA1CA2CA7CA9CA12 | |
| SCHEMBL30753695 | 0.74 | MTNR1A (0.62) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6961103 | 0.73 | KMT2A (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9505741 | 0.73 | CA1 (0.57) | CA1CA2CA7CA9CA12 |
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-105985280-B | Difluoro methylthiolation reagent, preparation method and application | 深圳市中科邦奇氟医学材料有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-105985280-A | Difluoromethylthiolation reagent, and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-10-05 | — | — | CN | disclosed |